CID 3798501

17450-34-9

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: 115
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]+	155.08151	132.2
[M+Na]+	177.06345	142.8
[M+NH4]+	172.10805	139.2
[M+K]+	193.03739	139.7
[M-H]-	153.06695	131.5
[M+Na-2H]-	175.04890	137.2
[M]+	154.07368	133.2
[M]-	154.07478	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe