Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H12N2O.ClH/c1-14-8-5-10(6-9-14)11-4-2-3-7-13-12(11)15;/h2-9,11H,1H3;1H
SMILES	O=C1NC=CC=CC1c1cc[n+](cc1)C.[Cl-]
InChI Key	ZZJJYVSBQBPLFT-UHFFFAOYSA-N
Molecular Formula	C12H13ClN2O
Exact Mass	236.697 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZZJJYVSBQBPLFT-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ZZJJYVSBQBPLFT-UHFFFAOYSA-N/CHMO0000470
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:46:31.587997
MetadataModified	2024-09-08T00:46:31.588002
MetadataPublished	2023-03-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166638645	PubChem
The data in this table is sourced from UniChem at EBI.