CID 2801564

59281-14-0

Structural Information

Molecular Formula
C13H13NO3
SMILES
C1=CC=C(C=C1)COC2=CNC(=CC2=O)CO
InChI
InChI=1S/C13H13NO3/c15-8-11-6-12(16)13(7-14-11)17-9-10-4-2-1-3-5-10/h1-7,15H,8-9H2,(H,14,16)
InChIKey
IWJLZADTSIIYBX-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-5-phenylmethoxy-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

223
Patents

231.08954 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.096816 149.3
[M+Na]+ 254.078758 157.4
[M-H]- 230.082264 152.3
[M+NH4]+ 249.123363 164.4
[M+K]+ 270.052698 152.9
[M+H-H2O]+ 214.086800 141.6
[M+HCOO]- 276.087741 170.5
[M+CH3COO]- 290.103391 184.3
[M+Na-2H]- 252.064206 155.6
[M]+ 231.08899142 149.2
[M]- 231.09008858 149.2
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