CID 6481678

2-(1h-imidazol-2-yl)-1-(4-methylphenyl)ethan-1-one hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.09496 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 143.9
[M+Na]+ 223.08418 151.8
[M-H]- 199.08768 146.8
[M+NH4]+ 218.12878 161.2
[M+K]+ 239.05812 147.8
[M+H-H2O]+ 183.09222 135.9
[M+HCOO]- 245.09316 165.0
[M+CH3COO]- 259.10881 181.8
[M+Na-2H]- 221.06963 148.0
[M]+ 200.09441 142.7
[M]- 200.09551 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