CID 49761943

1164200-12-7

Structural Information

Molecular Formula
C14H13NO
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=CC(=N2)C
InChI
InChI=1S/C14H13NO/c1-10-6-8-12(9-7-10)14(16)13-5-3-4-11(2)15-13/h3-9H,1-2H3
InChIKey
LZSUPUPGIBLKCR-UHFFFAOYSA-N
Compound name
(4-methylphenyl)-(6-methyl-2-pyridinyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.09972 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.106996 145.8
[M+Na]+ 234.088938 154.4
[M-H]- 210.092444 151.6
[M+NH4]+ 229.133543 163.3
[M+K]+ 250.062878 150.7
[M+H-H2O]+ 194.096980 138.0
[M+HCOO]- 256.097921 168.3
[M+CH3COO]- 270.113571 189.0
[M+Na-2H]- 232.074386 151.4
[M]+ 211.09917142 146.3
[M]- 211.10026858 146.3
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

No patent data available for this compound.