CID 417190

103206-23-1

Structural Information

Molecular Formula
C13H13NO
SMILES
CC1=CC(=O)C=C(N1C2=CC=CC=C2)C
InChI
InChI=1S/C13H13NO/c1-10-8-13(15)9-11(2)14(10)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKey
AMZZHJBEJRMVPS-UHFFFAOYSA-N
Compound name
2,6-dimethyl-1-phenylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

199.09972 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 142.6
[M+Na]+ 222.08894 159.4
[M+NH4]+ 217.13354 151.9
[M+K]+ 238.06288 151.1
[M-H]- 198.09244 147.5
[M+Na-2H]- 220.07439 153.1
[M]+ 199.09917 146.6
[M]- 199.10027 146.6
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