CID 3159672

1-ethyl-1h-imidazole-5-carbaldehyde

Structural Information

Molecular Formula

SMILES

CCN1C=NC=C1C=O

InChI

InChI=1S/C6H8N2O/c1-2-8-5-7-3-6(8)4-9/h3-5H,2H2,1H3

InChIKey

VHWIECSRYTXFHX-UHFFFAOYSA-N

Compound name

3-ethylimidazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 124.06366 Da
Monoisotopic Mass: 0.1
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]+	125.07094	124.1
[M+Na]+	147.05288	136.1
[M+NH4]+	142.09748	131.9
[M+K]+	163.02682	132.1
[M-H]-	123.05638	124.2
[M+Na-2H]-	145.03833	129.9
[M]+	124.06311	125.6
[M]-	124.06421	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe