CID 3084634

Hexaglycerol

Structural Information

Molecular Formula
C18H38O13
SMILES
C([C@@H](COC[C@@H](COC[C@H](COC[C@H](COC[C@H](COC[C@H](CO)O)O)O)O)O)O)O
InChI
InChI=1S/C18H38O13/c19-1-13(21)3-27-5-15(23)7-29-9-17(25)11-31-12-18(26)10-30-8-16(24)6-28-4-14(22)2-20/h13-26H,1-12H2/t13-,14-,15-,16-,17-,18+/m0/s1
InChIKey
FWTZRWTUPSQZOG-UGDFAFBOSA-N
Compound name
(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

462.23123 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.23851 215.8
[M+Na]+ 485.22045 214.9
[M+NH4]+ 480.26505 218.8
[M+K]+ 501.19439 214.4
[M-H]- 461.22395 214.6
[M+Na-2H]- 483.20590 220.3
[M]+ 462.23068 214.7
[M]- 462.23178 214.7
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.