CID 244078

1-benzyl-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C12H11NO
SMILES
C1=CC=C(C=C1)CN2C=CC=CC2=O
InChI
InChI=1S/C12H11NO/c14-12-8-4-5-9-13(12)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
MYZVUSAIFXIGNC-UHFFFAOYSA-N
Compound name
1-benzylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

284
Patents

185.08406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09134 137.3
[M+Na]+ 208.07328 146.1
[M-H]- 184.07678 142.9
[M+NH4]+ 203.11788 155.6
[M+K]+ 224.04722 142.4
[M+H-H2O]+ 168.08132 129.6
[M+HCOO]- 230.08226 161.5
[M+CH3COO]- 244.09791 181.1
[M+Na-2H]- 206.05873 145.9
[M]+ 185.08351 137.3
[M]- 185.08461 137.3
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