CID 91936878

2-hydroxyethyl sorbitol

Structural Information

Molecular Formula
C8H18O7
SMILES
C(CO[C@H](CO)[C@H]([C@@H]([C@H](CO)O)O)O)O
InChI
InChI=1S/C8H18O7/c9-1-2-15-6(4-11)8(14)7(13)5(12)3-10/h5-14H,1-4H2/t5-,6+,7+,8+/m0/s1
InChIKey
YUKJDFFNEWCEJE-LXGUWJNJSA-N
Compound name
(2S,3R,4S,5R)-5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.10526 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.112536 151.1
[M+Na]+ 249.094478 153.3
[M-H]- 225.097984 142.3
[M+NH4]+ 244.139083 164.2
[M+K]+ 265.068418 153.1
[M+H-H2O]+ 209.102520 145.9
[M+HCOO]- 271.103461 162.6
[M+CH3COO]- 285.119111 176.9
[M+Na-2H]- 247.079926 148.8
[M]+ 226.10471142 149.1
[M]- 226.10580858 149.1
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.