CID 18783249

4-hydroxy-4-(hydroxymethyl)oxolan-2-one

Structural Information

Molecular Formula
C5H8O4
SMILES
C1C(=O)OCC1(CO)O
InChI
InChI=1S/C5H8O4/c6-2-5(8)1-4(7)9-3-5/h6,8H,1-3H2
InChIKey
DKZDYOGAQSXRDO-UHFFFAOYSA-N
Compound name
4-hydroxy-4-(hydroxymethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

132.04225 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04953 121.9
[M+Na]+ 155.03147 130.0
[M-H]- 131.03497 123.8
[M+NH4]+ 150.07607 144.9
[M+K]+ 171.00541 130.2
[M+H-H2O]+ 115.03951 118.8
[M+HCOO]- 177.04045 142.7
[M+CH3COO]- 191.05610 162.8
[M+Na-2H]- 153.01692 128.9
[M]+ 132.04170 120.9
[M]- 132.04280 120.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe