Dataset

4-(4-CHLOROPHENYL)-1,2,3,6-TETRAHYDRO PYRIDINE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011630 contains the MS mass spectrum of 4-(4-CHLOROPHENYL)-1,2,3,6-TETRAHYDRO PYRIDINE with the InChIkey SXOMHACGFSJBIO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H12ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2
SMILES Clc(c2)ccc(c2)C(C1)=CCNC1
InChI Key SXOMHACGFSJBIO-UHFFFAOYSA-N
Molecular Formula C11H12ClN
Exact Mass 193.066 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP011630
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:16.653306
MetadataModified 2024-01-11T15:56:16.804528
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000000155174 ZINC
50036712 BindingDB
49798 Brenda
MCULE-4282465178 Mcule
SCHEMBL531984 SureChEMBL
J32.660G Nikkaji
185717 PubChem
14968699 PubChem: Thomson Pharma
30005-58-4 ACToR
VPW PDBe
CHEMBL101664 ChEMBL
The data in this table is sourced from UniChem at EBI.