Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7,10H2,1-3H3,(H,11,12)
SMILES NCCCCNC(=O)OC(C)(C)C
InChI Key ZFQWJXFJJZUVPI-UHFFFAOYSA-N
Molecular Formula C9H20N2O2
Exact Mass 188.267 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZFQWJXFJJZUVPI-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/ZFQWJXFJJZUVPI-UHFFFAOYSA-N/CHMO0000498
Version
Author Michael Mertens
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:55:47.654891
MetadataModified 2025-01-29T16:47:35.876601
MetadataPublished 2024-12-03
Related Molecule
Field Value
Measurement Technique high-resolution mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4351 PubChem
14772882 PubChem: Thomson Pharma
PD127402 ProbesDrugs
483400 eMolecules
SCHEMBL181700 SureChEMBL
J793.451C Nikkaji
ZINC000002557989 ZINC
HY-40178 MedChemExpress
CHEMBL3356838 ChEMBL
CB0166423 ChemicalBook
The data in this table is sourced from UniChem at EBI.