CID 22938609

497855-76-2

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CC(C)CN1C=CN=C1C=O

InChI

InChI=1S/C8H12N2O/c1-7(2)5-10-4-3-9-8(10)6-11/h3-4,6-7H,5H2,1-2H3

InChIKey

HUWIIAQBWRSEEU-UHFFFAOYSA-N

Compound name

1-(2-methylpropyl)imidazole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 152.09496 Da
Monoisotopic Mass: 1.1
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]+	153.10224	133.1
[M+Na]+	175.08418	144.3
[M+NH4]+	170.12878	140.5
[M+K]+	191.05812	140.7
[M-H]-	151.08768	132.9
[M+Na-2H]-	173.06963	138.1
[M]+	152.09441	134.4
[M]-	152.09551	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe