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

12535
Patents

150.05283 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06011 126.8
[M+Na]+ 173.04205 134.5
[M-H]- 149.04555 126.1
[M+NH4]+ 168.08665 147.9
[M+K]+ 189.01599 134.0
[M+H-H2O]+ 133.05009 124.0
[M+HCOO]- 195.05103 144.4
[M+CH3COO]- 209.06668 162.3
[M+Na-2H]- 171.02750 132.3
[M]+ 150.05228 124.6
[M]- 150.05338 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

patents stripe