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 136.2
[M+Na]+ 207.01987 144.3
[M-H]- 183.02337 135.5
[M+NH4]+ 202.06447 155.4
[M+K]+ 222.99381 141.0
[M+H-H2O]+ 167.02791 130.7
[M+HCOO]- 229.02885 148.2
[M+CH3COO]- 243.04450 147.9
[M+Na-2H]- 205.00532 138.3
[M]+ 184.03010 134.0
[M]- 184.03120 134.0
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.