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
(2S,3R,5R,6R)-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]+ 195.08632 139.9
[M+Na]+ 217.06826 146.2
[M-H]- 193.07176 137.7
[M+NH4]+ 212.11286 155.1
[M+K]+ 233.04220 145.2
[M+H-H2O]+ 177.07630 135.4
[M+HCOO]- 239.07724 153.4
[M+CH3COO]- 253.09289 172.1
[M+Na-2H]- 215.05371 142.1
[M]+ 194.07849 136.5
[M]- 194.07959 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.