CID 56604618

1-cyclobutyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

C1CC(C1)N2C=C(C=N2)C(=O)O

InChI

InChI=1S/C8H10N2O2/c11-8(12)6-4-9-10(5-6)7-2-1-3-7/h4-5,7H,1-3H2,(H,11,12)

InChIKey

YDPDUABHUDEMLW-UHFFFAOYSA-N

Compound name

1-cyclobutylpyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 166.07423 Da
Monoisotopic Mass: 0.6
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]+	167.08151	134.0
[M+Na]+	189.06345	139.8
[M+NH4]+	184.10805	137.1
[M+K]+	205.03739	139.3
[M-H]-	165.06695	131.6
[M+Na-2H]-	187.04890	136.5
[M]+	166.07368	132.6
[M]-	166.07478	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe