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[3,2-d]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]+ 225.069226 148.7
[M+Na]+ 247.051168 160.3
[M-H]- 223.054674 151.3
[M+NH4]+ 242.095773 169.7
[M+K]+ 263.025108 157.7
[M+H-H2O]+ 207.059210 143.8
[M+HCOO]- 269.060151 165.2
[M+CH3COO]- 283.075801 186.8
[M+Na-2H]- 245.036616 147.5
[M]+ 224.06140142 154.7
[M]- 224.06249858 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.