CID 4160985

62366-58-9

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

CCOC(=O)C(=O)C1=NC=CN1C

InChI

InChI=1S/C8H10N2O3/c1-3-13-8(12)6(11)7-9-4-5-10(7)2/h4-5H,3H2,1-2H3

InChIKey

UFHSIGMMKGIGDH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 182.06914 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]+	183.07642	138.6
[M+Na]+	205.05836	148.5
[M+NH4]+	200.10296	144.4
[M+K]+	221.03230	146.7
[M-H]-	181.06186	136.9
[M+Na-2H]-	203.04381	142.1
[M]+	182.06859	139.1
[M]-	182.06969	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe