CID 776464

401629-04-7

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1CC1C2=CC(=NN2)C(=O)O
InChI
InChI=1S/C7H8N2O2/c10-7(11)6-3-5(8-9-6)4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11)
InChIKey
GNWMHLBUCXEXPE-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

249
Patents

152.05858 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 132.9
[M+Na]+ 175.047798 143.1
[M-H]- 151.051304 135.6
[M+NH4]+ 170.092403 146.9
[M+K]+ 191.021738 138.8
[M+H-H2O]+ 135.055840 126.1
[M+HCOO]- 197.056781 153.3
[M+CH3COO]- 211.072431 173.1
[M+Na-2H]- 173.033246 137.0
[M]+ 152.05803142 133.1
[M]- 152.05912858 133.1
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