CID 68129

3-hydroxy-4h-pyran-4-one

Structural Information

Molecular Formula
C5H4O3
SMILES
C1=COC=C(C1=O)O
InChI
InChI=1S/C5H4O3/c6-4-1-2-8-3-5(4)7/h1-3,7H
InChIKey
VEYIMQVTPXPUHA-UHFFFAOYSA-N
Compound name
3-hydroxypyran-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

28
References

1338
Patents

112.016045 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.02332 114.9
[M+Na]+ 135.00526 128.6
[M+NH4]+ 130.04987 123.4
[M+K]+ 150.97920 123.8
[M-H]- 111.00877 117.6
[M+Na-2H]- 132.99071 122.1
[M]+ 112.01550 117.6
[M]- 112.01659 117.6
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