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

6
Patents

214.11061 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 146.7
[M+Na]+ 237.09983 155.1
[M-H]- 213.10333 151.9
[M+NH4]+ 232.14443 163.5
[M+K]+ 253.07377 150.7
[M+H-H2O]+ 197.10787 138.6
[M+HCOO]- 259.10881 171.0
[M+CH3COO]- 273.12446 189.4
[M+Na-2H]- 235.08528 153.3
[M]+ 214.11006 145.7
[M]- 214.11116 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