CID 24745538

2-methyl-1-phenyl-1h-imidazole-5-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

CC1=NC=C(N1C2=CC=CC=C2)C=O

InChI

InChI=1S/C11H10N2O/c1-9-12-7-11(8-14)13(9)10-5-3-2-4-6-10/h2-8H,1H3

InChIKey

LAFJYEDIHOJJJP-UHFFFAOYSA-N

Compound name

2-methyl-3-phenylimidazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 186.07932 Da
Monoisotopic Mass: 1.9
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]+	187.086596	138.1
[M+Na]+	209.068538	148.2
[M-H]-	185.072044	142.9
[M+NH4]+	204.113143	157.2
[M+K]+	225.042478	144.9
[M+H-H2O]+	169.076580	130.3
[M+HCOO]-	231.077521	162.1
[M+CH3COO]-	245.093171	181.7
[M+Na-2H]-	207.053986	143.8
[M]+	186.07877142	139.5
[M]-	186.07986858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe