CID 82372849

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

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

C1CC1C2=C(NN=C2)C(=O)O

InChI

InChI=1S/C7H8N2O2/c10-7(11)6-5(3-8-9-6)4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11)

InChIKey

ZNTBWBRSRTYOSO-UHFFFAOYSA-N

Compound name

4-cyclopropyl-1H-pyrazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 152.05858 Da
Monoisotopic Mass: 1.0
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]+	153.065856	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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe