CID 53217574

6-[3-(hydroxymethyl)phenyl]pyridin-2-ol hydrochloride

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1=CC(=CC(=C1)C2=CC=CC(=O)N2)CO
InChI
InChI=1S/C12H11NO2/c14-8-9-3-1-4-10(7-9)11-5-2-6-12(15)13-11/h1-7,14H,8H2,(H,13,15)
InChIKey
LVKYJUALKWJARJ-UHFFFAOYSA-N
Compound name
6-[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

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 141.6
[M+Na]+ 224.06820 150.4
[M-H]- 200.07170 144.9
[M+NH4]+ 219.11280 158.1
[M+K]+ 240.04214 145.5
[M+H-H2O]+ 184.07624 134.5
[M+HCOO]- 246.07718 163.0
[M+CH3COO]- 260.09283 179.1
[M+Na-2H]- 222.05365 148.5
[M]+ 201.07843 139.8
[M]- 201.07953 139.8
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.