CID 43145675

1-methyl-3-(propan-2-yl)-1h-thieno[2,3-c]pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H12N2O2S
SMILES
CC(C)C1=NN(C2=C1C=C(S2)C(=O)O)C
InChI
InChI=1S/C10H12N2O2S/c1-5(2)8-6-4-7(10(13)14)15-9(6)12(3)11-8/h4-5H,1-3H3,(H,13,14)
InChIKey
XVYIJKPPQWYKEU-UHFFFAOYSA-N
Compound name
1-methyl-3-propan-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06195 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06923 148.7
[M+Na]+ 247.05117 160.3
[M-H]- 223.05467 151.3
[M+NH4]+ 242.09577 169.7
[M+K]+ 263.02511 157.7
[M+H-H2O]+ 207.05921 143.8
[M+HCOO]- 269.06015 165.2
[M+CH3COO]- 283.07580 186.8
[M+Na-2H]- 245.03662 147.5
[M]+ 224.06140 154.7
[M]- 224.06250 154.7
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.