CID 2795884

2-ethyl-4-methyl-1h-imidazole-5-carbaldehyde

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CCC1=NC(=C(N1)C)C=O

InChI

InChI=1S/C7H10N2O/c1-3-7-8-5(2)6(4-10)9-7/h4H,3H2,1-2H3,(H,8,9)

InChIKey

RLBMKAXUSJOVJI-UHFFFAOYSA-N

Compound name

2-ethyl-5-methyl-1H-imidazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 418
Patents: 138.07932 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]+	139.086596	127.5
[M+Na]+	161.068538	137.5
[M-H]-	137.072044	127.7
[M+NH4]+	156.113143	148.2
[M+K]+	177.042478	135.2
[M+H-H2O]+	121.076580	121.4
[M+HCOO]-	183.077521	149.8
[M+CH3COO]-	197.093171	171.5
[M+Na-2H]-	159.053986	132.5
[M]+	138.07877142	128.1
[M]-	138.07986858	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe