CID 4261883

30148-21-1

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CCOC(=O)C1=NC=CN1C

InChI

InChI=1S/C7H10N2O2/c1-3-11-7(10)6-8-4-5-9(6)2/h4-5H,3H2,1-2H3

InChIKey

NOTZYDYZBOBDFE-UHFFFAOYSA-N

Compound name

ethyl 1-methylimidazole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 199
Patents: 154.07423 Da
Monoisotopic Mass: 0.6
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	130.5
[M+Na]+	177.06345	139.7
[M-H]-	153.06695	131.9
[M+NH4]+	172.10805	150.9
[M+K]+	193.03739	139.3
[M+H-H2O]+	137.07149	123.8
[M+HCOO]-	199.07243	153.6
[M+CH3COO]-	213.08808	175.2
[M+Na-2H]-	175.04890	135.5
[M]+	154.07368	133.3
[M]-	154.07478	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe