CID 3101198

3-(1h-imidazol-1-yl)butanoic acid

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CC(CC(=O)O)N1C=CN=C1

InChI

InChI=1S/C7H10N2O2/c1-6(4-7(10)11)9-3-2-8-5-9/h2-3,5-6H,4H2,1H3,(H,10,11)

InChIKey

HLJDXGSNNOEKJD-UHFFFAOYSA-N

Compound name

3-imidazol-1-ylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 154.07423 Da
Monoisotopic Mass: -0.2
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	132.5
[M+Na]+	177.06345	142.2
[M+NH4]+	172.10805	139.0
[M+K]+	193.03739	140.2
[M-H]-	153.06695	131.0
[M+Na-2H]-	175.04890	136.5
[M]+	154.07368	133.0
[M]-	154.07478	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe