CID 16773662

1-{[4-(aminomethyl)phenyl]methyl}-1,2-dihydropyridin-2-one hydrochloride

Structural Information

Molecular Formula
C13H14N2O
SMILES
C1=CC(=O)N(C=C1)CC2=CC=C(C=C2)CN
InChI
InChI=1S/C13H14N2O/c14-9-11-4-6-12(7-5-11)10-15-8-2-1-3-13(15)16/h1-8H,9-10,14H2
InChIKey
TYUBTTPBPWMLEV-UHFFFAOYSA-N
Compound name
1-[[4-(aminomethyl)phenyl]methyl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

214.11061 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.117886 146.7
[M+Na]+ 237.099828 155.1
[M-H]- 213.103334 151.9
[M+NH4]+ 232.144433 163.5
[M+K]+ 253.073768 150.7
[M+H-H2O]+ 197.107870 138.6
[M+HCOO]- 259.108811 171.0
[M+CH3COO]- 273.124461 189.4
[M+Na-2H]- 235.085276 153.3
[M]+ 214.11006142 145.7
[M]- 214.11115858 145.7
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

patents stripe