CID 151228

4-pyridoxolactone

Structural Information

Molecular Formula
C8H7NO3
SMILES
CC1=NC=C2COC(=O)C2=C1O
InChI
InChI=1S/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3
InChIKey
HHPDVQLBYQFYFA-UHFFFAOYSA-N
Compound name
7-hydroxy-6-methyl-3H-furo[3,4-c]pyridin-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

19
Patents

165.04259 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 129.1
[M+Na]+ 188.03181 140.0
[M-H]- 164.03531 132.7
[M+NH4]+ 183.07641 150.0
[M+K]+ 204.00575 138.8
[M+H-H2O]+ 148.03985 124.1
[M+HCOO]- 210.04079 150.4
[M+CH3COO]- 224.05644 174.8
[M+Na-2H]- 186.01726 136.0
[M]+ 165.04204 130.9
[M]- 165.04314 130.9
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