CID 55265613

912635-70-2

Structural Information

Molecular Formula

C₇H₈N₂O₂S

SMILES

C1CSCC2=C1NN=C2C(=O)O

InChI

InChI=1S/C7H8N2O2S/c10-7(11)6-4-3-12-2-1-5(4)8-9-6/h1-3H2,(H,8,9)(H,10,11)

InChIKey

GOXLZCBVDQVTMO-UHFFFAOYSA-N

Compound name

1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 184.03065 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe