CID 44543379

1194473-23-8

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1=CC=C(C=C1)CC2=CC(=O)C(=CN2)O
InChI
InChI=1S/C12H11NO2/c14-11-7-10(13-8-12(11)15)6-9-4-2-1-3-5-9/h1-5,7-8,15H,6H2,(H,13,14)
InChIKey
JGOOWKFFSLFTFG-UHFFFAOYSA-N
Compound name
2-benzyl-5-hydroxy-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

201.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 141.6
[M+Na]+ 224.068198 150.4
[M-H]- 200.071704 144.9
[M+NH4]+ 219.112803 158.1
[M+K]+ 240.042138 145.5
[M+H-H2O]+ 184.076240 134.5
[M+HCOO]- 246.077181 163.0
[M+CH3COO]- 260.092831 179.1
[M+Na-2H]- 222.053646 148.5
[M]+ 201.07843142 139.8
[M]- 201.07952858 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

literature stripe

Patent stripe

patents stripe