CID 14542602

13964-15-3

Structural Information

Molecular Formula
C7H14O6
SMILES
C([C@@H]1[C@@H](C([C@H]([C@@H](O1)CO)O)O)O)O
InChI
InChI=1S/C7H14O6/c8-1-3-5(10)7(12)6(11)4(2-9)13-3/h3-12H,1-2H2/t3-,4+,5-,6-,7?/m0/s1
InChIKey
UBWUHZBLCOLWME-QDLFHSFASA-N
Compound name
(2R,3R,5R,6S)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.07904 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.086316 139.9
[M+Na]+ 217.068258 146.2
[M-H]- 193.071764 137.7
[M+NH4]+ 212.112863 155.1
[M+K]+ 233.042198 145.2
[M+H-H2O]+ 177.076300 135.4
[M+HCOO]- 239.077241 153.4
[M+CH3COO]- 253.092891 172.1
[M+Na-2H]- 215.053706 142.1
[M]+ 194.07849142 136.5
[M]- 194.07958858 136.5
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.