CID 3798501

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

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CCOC(=O)CN1C=CN=C1

InChI

InChI=1S/C7H10N2O2/c1-2-11-7(10)5-9-4-3-8-6-9/h3-4,6H,2,5H2,1H3

InChIKey

OITZNDMCFHYWLX-UHFFFAOYSA-N

Compound name

ethyl 2-imidazol-1-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 133
Patents: 154.07423 Da
Monoisotopic Mass: 0.4
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]+	155.081506	131.1
[M+Na]+	177.063448	139.3
[M-H]-	153.066954	132.0
[M+NH4]+	172.108053	151.1
[M+K]+	193.037388	138.9
[M+H-H2O]+	137.071490	123.9
[M+HCOO]-	199.072431	154.1
[M+CH3COO]-	213.088081	174.1
[M+Na-2H]-	175.048896	136.7
[M]+	154.07368142	133.4
[M]-	154.07477858	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe