Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H13N3/c1-7(2)10-11(12)14-9-6-4-3-5-8(9)13-10/h3-7H,1-2H3,(H2,12,14)
SMILES	CC(c1nc2ccccc2nc1N)C
InChI Key	IRSRPTQGLZTLGL-UHFFFAOYSA-N
Molecular Formula	C11H13N3
Exact Mass	187.241 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/IRSRPTQGLZTLGL-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/IRSRPTQGLZTLGL-UHFFFAOYSA-N/CHMO0000470
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:02:17.931062
MetadataModified	2024-09-07T21:41:45.127654
MetadataPublished	2022-02-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables