Dataset

(S)-(+)-2-(anilinomethyl)pyrrolidine, N-[[(2S)-pyrrolidin-2-yl]methyl]aniline, (S)-(+)-N-(2-Pyrrolidinomethyl)aniline, (2S)-Phenylpyrrolidin-2-ylmethylamine

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT104680 contains the MS2 mass spectrum of (S)-(+)-2-(anilinomethyl)pyrrolidine, N-[[(2S)-pyrrolidin-2-yl]methyl]aniline, (S)-(+)-N-(2-Pyrrolidinomethyl)aniline, (2S)-Phenylpyrrolidin-2-ylmethylamine with the InChIkey MCHWKJRTMPIHRA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C11H16N2/c1-2-5-10(6-3-1)13-9-11-7-4-8-12-11/h1-3,5-6,11-13H,4,7-9H2
SMILES	C1CC(NC1)CNC2=CC=CC=C2
InChI Key	MCHWKJRTMPIHRA-UHFFFAOYSA-N
Molecular Formula	C11H16N2
Exact Mass	176.263 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT104680
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:14:47.737112
MetadataModified	2025-02-09T19:12:52.705411
MetadataPublished	2008-07-25

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-3090347898	Mcule
4056869	PubChem
30276046	eMolecules
16251016	PubChem: Thomson Pharma
SCHEMBL1116569	SureChEMBL
J2.397.781H	Nikkaji
The data in this table is sourced from UniChem at EBI.