CID 3661024

1h-imidazol-2-yl(4-methylphenyl)methanone

Structural Information

Molecular Formula
C11H10N2O
SMILES
CC1=CC=C(C=C1)C(=O)C2=NC=CN2
InChI
InChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)10(14)11-12-6-7-13-11/h2-7H,1H3,(H,12,13)
InChIKey
MWFUQWJSIBEMPW-UHFFFAOYSA-N
Compound name
1H-imidazol-2-yl-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

34
Patents

186.07932 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.086596 139.2
[M+Na]+ 209.068538 147.6
[M-H]- 185.072044 142.4
[M+NH4]+ 204.113143 157.2
[M+K]+ 225.042478 143.9
[M+H-H2O]+ 169.076580 131.5
[M+HCOO]- 231.077521 160.8
[M+CH3COO]- 245.093171 178.8
[M+Na-2H]- 207.053986 144.0
[M]+ 186.07877142 137.7
[M]- 186.07986858 137.7
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