CID 2726416

61160-18-7

Structural Information

Molecular Formula
C13H13NO2
SMILES
CC1=C(C(=O)C=CN1)OCC2=CC=CC=C2
InChI
InChI=1S/C13H13NO2/c1-10-13(12(15)7-8-14-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15)
InChIKey
WBKGCSWOAILTET-UHFFFAOYSA-N
Compound name
2-methyl-3-phenylmethoxy-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

229
Patents

215.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 145.7
[M+Na]+ 238.08386 154.4
[M-H]- 214.08736 150.1
[M+NH4]+ 233.12846 162.3
[M+K]+ 254.05780 150.2
[M+H-H2O]+ 198.09190 138.0
[M+HCOO]- 260.09284 168.2
[M+CH3COO]- 274.10849 184.7
[M+Na-2H]- 236.06931 152.5
[M]+ 215.09409 146.0
[M]- 215.09519 146.0
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