CID 28414435

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 144.1
[M+Na]+ 223.08418 158.0
[M+NH4]+ 218.12878 152.2
[M+K]+ 239.05812 153.2
[M-H]- 199.08768 146.8
[M+Na-2H]- 221.06963 152.2
[M]+ 200.09441 146.8
[M]- 200.09551 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe