CID 83680015

1499680-34-0

Structural Information

Molecular Formula
C7H8N2O2S
SMILES
C1CSCC2=C1C(=NN2)C(=O)O
InChI
InChI=1S/C7H8N2O2S/c10-7(11)6-4-1-2-12-3-5(4)8-9-6/h1-3H2,(H,8,9)(H,10,11)
InChIKey
FYVVZHQAHHZXFJ-UHFFFAOYSA-N
Compound name
1,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.03065 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03793 136.7
[M+Na]+ 207.01987 146.1
[M+NH4]+ 202.06447 144.5
[M+K]+ 222.99381 141.7
[M-H]- 183.02337 136.0
[M+Na-2H]- 205.00532 139.2
[M]+ 184.03010 137.9
[M]- 184.03120 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.