CID 15137789

1-cyclobutyl-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1CC(C1)N2C(=CC=N2)C(=O)O
InChI
InChI=1S/C8H10N2O2/c11-8(12)7-4-5-9-10(7)6-2-1-3-6/h4-6H,1-3H2,(H,11,12)
InChIKey
HJLBZKCWCUMXJV-UHFFFAOYSA-N
Compound name
2-cyclobutylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

166.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 131.6
[M+Na]+ 189.063448 137.8
[M-H]- 165.066954 134.3
[M+NH4]+ 184.108053 143.8
[M+K]+ 205.037388 139.2
[M+H-H2O]+ 149.071490 119.6
[M+HCOO]- 211.072431 150.9
[M+CH3COO]- 225.088081 178.0
[M+Na-2H]- 187.048896 135.1
[M]+ 166.07368142 138.6
[M]- 166.07477858 138.6
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