CID 18524066

917748-97-1

Structural Information

Molecular Formula
C13H14N2O
SMILES
CC1=CC=C(C=C1)CN2C=CC=C(C2=O)N
InChI
InChI=1S/C13H14N2O/c1-10-4-6-11(7-5-10)9-15-8-2-3-12(14)13(15)16/h2-8H,9,14H2,1H3
InChIKey
QZMXBBITTHBLIG-UHFFFAOYSA-N
Compound name
3-amino-1-[(4-methylphenyl)methyl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.11061 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 147.3
[M+Na]+ 237.09983 162.5
[M+NH4]+ 232.14443 155.8
[M+K]+ 253.07377 154.8
[M-H]- 213.10333 152.2
[M+Na-2H]- 235.08528 156.9
[M]+ 214.11006 150.9
[M]- 214.11116 150.9
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.