CID 44441302

5-cyclobutyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1CC(C1)C2=CC(=NN2)C(=O)O
InChI
InChI=1S/C8H10N2O2/c11-8(12)7-4-6(9-10-7)5-2-1-3-5/h4-5H,1-3H2,(H,9,10)(H,11,12)
InChIKey
VKUSZPYMCIJUJR-UHFFFAOYSA-N
Compound name
5-cyclobutyl-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

166.07423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 133.3
[M+Na]+ 189.06345 139.0
[M-H]- 165.06695 134.7
[M+NH4]+ 184.10805 144.8
[M+K]+ 205.03739 139.5
[M+H-H2O]+ 149.07149 121.3
[M+HCOO]- 211.07243 151.1
[M+CH3COO]- 225.08808 175.5
[M+Na-2H]- 187.04890 136.1
[M]+ 166.07368 138.5
[M]- 166.07478 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe