CID 3066548

4-(1h-pyrazol-1-yl)butanoic acid

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

C1=CN(N=C1)CCCC(=O)O

InChI

InChI=1S/C7H10N2O2/c10-7(11)3-1-5-9-6-2-4-8-9/h2,4,6H,1,3,5H2,(H,10,11)

InChIKey

PQTCGHYOOHMITR-UHFFFAOYSA-N

Compound name

4-pyrazol-1-ylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 69
Patents: 154.07423 Da
Monoisotopic Mass: 0.0
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]+	155.08151	132.6
[M+Na]+	177.06345	142.6
[M+NH4]+	172.10805	139.2
[M+K]+	193.03739	139.8
[M-H]-	153.06695	131.3
[M+Na-2H]-	175.04890	136.9
[M]+	154.07368	133.2
[M]-	154.07478	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe