CID 2773510

17289-19-9

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

CN1C=C(N=C1)C(=O)OC

InChI

InChI=1S/C6H8N2O2/c1-8-3-5(7-4-8)6(9)10-2/h3-4H,1-2H3

InChIKey

KZPZTVKOJSKVBV-UHFFFAOYSA-N

Compound name

methyl 1-methylimidazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 140.05858 Da
Monoisotopic Mass: 0.2
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]+	141.06586	127.5
[M+Na]+	163.04780	138.6
[M+NH4]+	158.09240	134.6
[M+K]+	179.02174	136.0
[M-H]-	139.05130	126.8
[M+Na-2H]-	161.03325	132.5
[M]+	140.05803	128.6
[M]-	140.05913	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe