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

11
Patents

199.09972 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.106996 141.2
[M+Na]+ 222.088938 151.5
[M-H]- 198.092444 147.5
[M+NH4]+ 217.133543 159.6
[M+K]+ 238.062878 147.6
[M+H-H2O]+ 182.096980 133.8
[M+HCOO]- 244.097921 165.1
[M+CH3COO]- 258.113571 186.3
[M+Na-2H]- 220.074386 147.8
[M]+ 199.09917142 142.4
[M]- 199.10026858 142.4
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