CID 776464

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

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: 198
Patents: 152.05858 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.06586	134.4
[M+Na]+	175.04780	146.0
[M+NH4]+	170.09240	141.8
[M+K]+	191.02174	144.9
[M-H]-	151.05130	141.1
[M+Na-2H]-	173.03325	141.5
[M]+	152.05803	138.7
[M]-	152.05913	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe