CID 54684893

Hppo(1-)

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC(=CN=C1)C2=CC(=CC(=O)O2)O
InChI
InChI=1S/C10H7NO3/c12-8-4-9(14-10(13)5-8)7-2-1-3-11-6-7/h1-6,12H
InChIKey
HWOWEGAQDKKHDR-UHFFFAOYSA-N
Compound name
4-hydroxy-6-pyridin-3-ylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

802
Patents

189.04259 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04987 135.3
[M+Na]+ 212.03181 145.4
[M-H]- 188.03531 141.0
[M+NH4]+ 207.07641 151.7
[M+K]+ 228.00575 143.4
[M+H-H2O]+ 172.03985 128.0
[M+HCOO]- 234.04079 158.2
[M+CH3COO]- 248.05644 177.8
[M+Na-2H]- 210.01726 144.5
[M]+ 189.04204 136.6
[M]- 189.04314 136.6
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