CID 4479683

4-(hydroxymethyl)oxolane-2,3,4-triol

Structural Information

Molecular Formula
C5H10O5
SMILES
C1C(C(C(O1)O)O)(CO)O
InChI
InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2
InChIKey
ASNHGEVAWNWCRQ-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)oxolane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

47
References

11368
Patents

150.05283 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.060106 126.8
[M+Na]+ 173.042048 134.5
[M-H]- 149.045554 126.1
[M+NH4]+ 168.086653 147.9
[M+K]+ 189.015988 134.0
[M+H-H2O]+ 133.050090 124.0
[M+HCOO]- 195.051031 144.4
[M+CH3COO]- 209.066681 162.3
[M+Na-2H]- 171.027496 132.3
[M]+ 150.05228142 124.6
[M]- 150.05337858 124.6
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

No patent data available for this compound.