CID 565491

Methyl 3-(1h-imidazol-4-yl)propanoate hydrochloride

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

COC(=O)CCC1=CN=CN1

InChI

InChI=1S/C7H10N2O2/c1-11-7(10)3-2-6-4-8-5-9-6/h4-5H,2-3H2,1H3,(H,8,9)

InChIKey

YFEPBWKUBQUBKL-UHFFFAOYSA-N

Compound name

methyl 3-(1H-imidazol-5-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 210
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	132.7
[M+Na]+	177.06345	142.8
[M+NH4]+	172.10805	139.3
[M+K]+	193.03739	140.0
[M-H]-	153.06695	131.5
[M+Na-2H]-	175.04890	137.1
[M]+	154.07368	133.4
[M]-	154.07478	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe