CID 131481226

2090810-87-8

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

CN1C=NC(=C1C=O)C(=O)OC

InChI

InChI=1S/C7H8N2O3/c1-9-4-8-6(5(9)3-10)7(11)12-2/h3-4H,1-2H3

InChIKey

HEUSOAKVBOWOAI-UHFFFAOYSA-N

Compound name

methyl 5-formyl-1-methylimidazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.0535 Da
Monoisotopic Mass: 0.0
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]+	169.06078	134.2
[M+Na]+	191.04272	145.1
[M+NH4]+	186.08732	140.3
[M+K]+	207.01666	142.9
[M-H]-	167.04622	132.8
[M+Na-2H]-	189.02817	138.1
[M]+	168.05295	134.9
[M]-	168.05405	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.