CID 12189105

879996-80-2

Structural Information

Molecular Formula
C8H6N2O2S
SMILES
C1=CSC(=C1)C2=C(C=NN2)C(=O)O
InChI
InChI=1S/C8H6N2O2S/c11-8(12)5-4-9-10-7(5)6-2-1-3-13-6/h1-4H,(H,9,10)(H,11,12)
InChIKey
MICDYEVWWIBWRC-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-1H-pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

194.015 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02228 138.4
[M+Na]+ 217.00422 149.2
[M-H]- 193.00772 141.8
[M+NH4]+ 212.04882 158.2
[M+K]+ 232.97816 145.6
[M+H-H2O]+ 177.01226 132.4
[M+HCOO]- 239.01320 157.0
[M+CH3COO]- 253.02885 152.0
[M+Na-2H]- 214.98967 139.3
[M]+ 194.01445 140.3
[M]- 194.01555 140.3
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