CID 28414435

119924-92-4

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

CC1=NC=CN1C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C12H12N2O/c1-9(15)11-3-5-12(6-4-11)14-8-7-13-10(14)2/h3-8H,1-2H3

InChIKey

LIIAUYRAXKEBGA-UHFFFAOYSA-N

Compound name

1-[4-(2-methylimidazol-1-yl)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 200.09496 Da
Monoisotopic Mass: 1.8
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]+	201.10224	142.9
[M+Na]+	223.08418	152.2
[M-H]-	199.08768	147.6
[M+NH4]+	218.12878	161.3
[M+K]+	239.05812	149.1
[M+H-H2O]+	183.09222	135.0
[M+HCOO]-	245.09316	165.6
[M+CH3COO]-	259.10881	185.6
[M+Na-2H]-	221.06963	146.9
[M]+	200.09441	144.0
[M]-	200.09551	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe