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

5
Patents

132.04225 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.049526 121.9
[M+Na]+ 155.031468 130.0
[M-H]- 131.034974 123.8
[M+NH4]+ 150.076073 144.9
[M+K]+ 171.005408 130.2
[M+H-H2O]+ 115.039510 118.8
[M+HCOO]- 177.040451 142.7
[M+CH3COO]- 191.056101 162.8
[M+Na-2H]- 153.016916 128.9
[M]+ 132.04170142 120.9
[M]- 132.04279858 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