CID 19620020

1-cyclopentyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

C1CCC(C1)N2C=C(C=N2)C(=O)O

InChI

InChI=1S/C9H12N2O2/c12-9(13)7-5-10-11(6-7)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,12,13)

InChIKey

LJUUTQPCNJARAA-UHFFFAOYSA-N

Compound name

1-cyclopentylpyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 180.08987 Da
Monoisotopic Mass: 0.9
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]+	181.09715	139.8
[M+Na]+	203.07909	148.9
[M+NH4]+	198.12369	146.9
[M+K]+	219.05303	148.2
[M-H]-	179.08259	140.2
[M+Na-2H]-	201.06454	144.1
[M]+	180.08932	140.8
[M]-	180.09042	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe