CID 49762006

2361635-32-5

Structural Information

Molecular Formula
C14H13NO
SMILES
CC1=CC(=CC=C1)C(=O)C2=NC=C(C=C2)C
InChI
InChI=1S/C14H13NO/c1-10-4-3-5-12(8-10)14(16)13-7-6-11(2)9-15-13/h3-9H,1-2H3
InChIKey
XEMHJWSILIBAPR-UHFFFAOYSA-N
Compound name
(3-methylphenyl)-(5-methylpyridin-2-yl)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]+ 212.10700 147.0
[M+Na]+ 234.08894 162.8
[M+NH4]+ 229.13354 156.0
[M+K]+ 250.06288 154.9
[M-H]- 210.09244 151.5
[M+Na-2H]- 232.07439 157.1
[M]+ 211.09917 150.7
[M]- 211.10027 150.7
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

No patent data available for this compound.