CID 14690513

Ethyl 2-(1-methyl-1h-imidazol-2-yl)acetate hydrochloride

Structural Information

Molecular Formula

C₈H₁₂N₂O₂

SMILES

CCOC(=O)CC1=NC=CN1C

InChI

InChI=1S/C8H12N2O2/c1-3-12-8(11)6-7-9-4-5-10(7)2/h4-5H,3,6H2,1-2H3

InChIKey

GFEYMTNOXNVIQO-UHFFFAOYSA-N

Compound name

ethyl 2-(1-methylimidazol-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 168.08987 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]+	169.09715	135.2
[M+Na]+	191.07909	143.9
[M-H]-	167.08259	136.4
[M+NH4]+	186.12369	155.0
[M+K]+	207.05303	143.3
[M+H-H2O]+	151.08713	128.2
[M+HCOO]-	213.08807	157.9
[M+CH3COO]-	227.10372	178.2
[M+Na-2H]-	189.06454	139.6
[M]+	168.08932	138.3
[M]-	168.09042	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe