CID 60797858

2-(4-methylbenzoyl)pyrimidine

Structural Information

Molecular Formula
C12H10N2O
SMILES
CC1=CC=C(C=C1)C(=O)C2=NC=CC=N2
InChI
InChI=1S/C12H10N2O/c1-9-3-5-10(6-4-9)11(15)12-13-7-2-8-14-12/h2-8H,1H3
InChIKey
BMMSUKSZEQIVAV-UHFFFAOYSA-N
Compound name
(4-methylphenyl)-pyrimidin-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.07932 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08660 142.6
[M+Na]+ 221.06854 158.1
[M+NH4]+ 216.11314 150.9
[M+K]+ 237.04248 150.8
[M-H]- 197.07204 146.2
[M+Na-2H]- 219.05399 152.9
[M]+ 198.07877 145.9
[M]- 198.07987 145.9
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

No patent data available for this compound.