CID 5780

D-sorbitol

Structural Information

Molecular Formula
C6H14O6
SMILES
C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O
InChI
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKey
FBPFZTCFMRRESA-JGWLITMVSA-N
Compound name
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

62459
References

343699
Patents

182.07904 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08632 140.3
[M+Na]+ 205.06826 143.6
[M-H]- 181.07176 132.0
[M+NH4]+ 200.11286 155.4
[M+K]+ 221.04220 143.1
[M+H-H2O]+ 165.07630 135.9
[M+HCOO]- 227.07724 152.3
[M+CH3COO]- 241.09289 168.7
[M+Na-2H]- 203.05371 138.9
[M]+ 182.07849 136.2
[M]- 182.07959 136.2
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.