CID 15008993

137159-34-3

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₄

SMILES

CCOC(C1=C(N=CN1)C(=O)OCC)OCC

InChI

InChI=1S/C11H18N2O4/c1-4-15-10(14)8-9(13-7-12-8)11(16-5-2)17-6-3/h7,11H,4-6H2,1-3H3,(H,12,13)

InChIKey

CWKNTPWKEFUBIY-UHFFFAOYSA-N

Compound name

ethyl 5-(diethoxymethyl)-1H-imidazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 242.12666 Da
Monoisotopic Mass: 1.0
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]+	243.133936	155.2
[M+Na]+	265.115878	161.7
[M-H]-	241.119384	154.6
[M+NH4]+	260.160483	171.1
[M+K]+	281.089818	160.9
[M+H-H2O]+	225.123920	147.7
[M+HCOO]-	287.124861	174.8
[M+CH3COO]-	301.140511	189.5
[M+Na-2H]-	263.101326	156.5
[M]+	242.12611142	159.8
[M]-	242.12720858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe