CID 3011557

2-(propan-2-yl)-1h-imidazole-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CC(C)C1=NC=C(N1)C(=O)O

InChI

InChI=1S/C7H10N2O2/c1-4(2)6-8-3-5(9-6)7(10)11/h3-4H,1-2H3,(H,8,9)(H,10,11)

InChIKey

NSDNJRNFDRCNFL-UHFFFAOYSA-N

Compound name

2-propan-2-yl-1H-imidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 154.07423 Da
Monoisotopic Mass: 1.1
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	132.8
[M+Na]+	177.06345	142.3
[M+NH4]+	172.10805	138.9
[M+K]+	193.03739	140.9
[M-H]-	153.06695	130.9
[M+Na-2H]-	175.04890	135.9
[M]+	154.07368	133.1
[M]-	154.07478	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe