Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C7H8N6/c1-5(2)13-4-6(3-8)7(11-13)10-12-9/h4-5H,1-2H3
SMILES	[N-]=[N+]=Nc1nn(cc1C#N)C(C)C
InChI Key	XHQDUCMTSCUCRX-UHFFFAOYSA-N
Molecular Formula	C7H8N6
Exact Mass	176.179 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/XHQDUCMTSCUCRX-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/XHQDUCMTSCUCRX-UHFFFAOYSA-N/CHMO0000470
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:01:17.792561
MetadataModified	2024-09-08T03:01:17.792565
MetadataPublished	2024-02-14

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.