Spectrum CCMSLIB00000081563 for Carbamimidothioic acid

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
25985-57-3
InChI=1S/C3H8N2O3S2/c4-3(5)9-1-2-10(6,7)8/h1-2H2,(H3,4,5)(H,6,7,8)
C3H8N2O3S2
183.99763411599997
O=S(=O)(O)CCSC(=N)N
LTHWZZOUNJCHES-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
qTof
183.998
1
gnps_Carbamimidothioic_acid_pos_MplusNa.mgf
MS2
GNPS-LIBRARY
rsilva, Norberto Lopes
positive
1.8757547273814767
0.6620591178975678
206.982
[M+Na]+
26.109110937016734 ppm
-0.0054041159999655974 Da