CID 21076

5-hydroxy-2,5-dihydrofuran-2-one

Structural Information

Molecular Formula
C4H4O3
SMILES
C1=CC(=O)OC1O
InChI
InChI=1S/C4H4O3/c5-3-1-2-4(6)7-3/h1-3,5H
InChIKey
DUAZKLYNTLDKQK-UHFFFAOYSA-N
Compound name
2-hydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

66
References

3028
Patents

100.016045 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.02332 112.6
[M+Na]+ 123.00526 121.7
[M-H]- 99.008769 116.1
[M+NH4]+ 118.04987 135.7
[M+K]+ 138.97920 122.4
[M+H-H2O]+ 83.013305 108.6
[M+HCOO]- 145.01425 136.5
[M+CH3COO]- 159.02990 160.2
[M+Na-2H]- 120.99071 120.2
[M]+ 100.01550 112.6
[M]- 100.01659 112.6
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