CID 43162797

2-(1h-imidazol-2-yl)-1-(3-methylphenyl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C12H12N2O
SMILES
CC1=CC(=CC=C1)C(=O)CC2=NC=CN2
InChI
InChI=1S/C12H12N2O/c1-9-3-2-4-10(7-9)11(15)8-12-13-5-6-14-12/h2-7H,8H2,1H3,(H,13,14)
InChIKey
KCFPQKCYLRGFFL-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-2-yl)-1-(3-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

200.09496 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.102236 143.9
[M+Na]+ 223.084178 151.8
[M-H]- 199.087684 146.8
[M+NH4]+ 218.128783 161.2
[M+K]+ 239.058118 147.8
[M+H-H2O]+ 183.092220 135.9
[M+HCOO]- 245.093161 165.0
[M+CH3COO]- 259.108811 181.8
[M+Na-2H]- 221.069626 148.0
[M]+ 200.09441142 142.7
[M]- 200.09550858 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe