CID 53217573

1111102-81-8

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1=CC(=CC(=C1)C2=CNC(=O)C=C2)CO
InChI
InChI=1S/C12H11NO2/c14-8-9-2-1-3-10(6-9)11-4-5-12(15)13-7-11/h1-7,14H,8H2,(H,13,15)
InChIKey
PYNQEGVQMFFSQA-UHFFFAOYSA-N
Compound name
5-[3-(hydroxymethyl)phenyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07898 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 142.9
[M+Na]+ 224.06820 157.8
[M+NH4]+ 219.11280 150.9
[M+K]+ 240.04214 150.7
[M-H]- 200.07170 146.1
[M+Na-2H]- 222.05365 152.0
[M]+ 201.07843 145.9
[M]- 201.07953 145.9
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.