CID 82407902

1-methyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C7H6N2O2S
SMILES
CN1C2=C(C=C(S2)C(=O)O)C=N1
InChI
InChI=1S/C7H6N2O2S/c1-9-6-4(3-8-9)2-5(12-6)7(10)11/h2-3H,1H3,(H,10,11)
InChIKey
WTULXUJDPPZFDV-UHFFFAOYSA-N
Compound name
1-methylthieno[2,3-c]pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

182.015 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02228 136.4
[M+Na]+ 205.00422 147.5
[M+NH4]+ 200.04882 144.4
[M+K]+ 220.97816 144.5
[M-H]- 181.00772 136.0
[M+Na-2H]- 202.98967 139.8
[M]+ 182.01445 138.1
[M]- 182.01555 138.1
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

patents stripe