CID 578816

2-ethyl-1h-imidazole-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

CCC1=NC=C(N1)C(=O)O

InChI

InChI=1S/C6H8N2O2/c1-2-5-7-3-4(8-5)6(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)

InChIKey

NRIUQHNTFFNDMW-UHFFFAOYSA-N

Compound name

2-ethyl-1H-imidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 140.05858 Da
Monoisotopic Mass: 0.8
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]+	141.06586	128.4
[M+Na]+	163.04780	138.4
[M+NH4]+	158.09240	134.8
[M+K]+	179.02174	136.4
[M-H]-	139.05130	126.6
[M+Na-2H]-	161.03325	132.1
[M]+	140.05803	128.9
[M]-	140.05913	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe