CID 12493284

68282-56-4

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

COCC1=NC=C(N1)C=O

InChI

InChI=1S/C6H8N2O2/c1-10-4-6-7-2-5(3-9)8-6/h2-3H,4H2,1H3,(H,7,8)

InChIKey

QBENGHTZHWANSD-UHFFFAOYSA-N

Compound name

2-(methoxymethyl)-1H-imidazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 140.05858 Da
Monoisotopic Mass: -0.5
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	127.8
[M+Na]+	163.04780	138.7
[M+NH4]+	158.09240	134.7
[M+K]+	179.02174	135.6
[M-H]-	139.05130	126.8
[M+Na-2H]-	161.03325	132.5
[M]+	140.05803	128.7
[M]-	140.05913	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe