Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C6H11NOS/c1-9(7,8)6-2-5(3-6)4-6/h5,7H,2-4H2,1H3
SMILES	CS(=O)(=N)C12CC(C1)C2
InChI Key	KBKAKKSPPNJJTH-UHFFFAOYSA-N
Molecular Formula	C6H11NOS
Exact Mass	145.223 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KBKAKKSPPNJJTH-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KBKAKKSPPNJJTH-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:38:51.404127
MetadataModified	2024-09-08T01:38:51.404133
MetadataPublished	2023-09-19

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
165941990	PubChem
The data in this table is sourced from UniChem at EBI.