CID 13797506

D-glucitol monolaurate

Structural Information

Molecular Formula
C18H36O7
SMILES
CCCCCCCCCCCC(=O)OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C18H36O7/c1-2-3-4-5-6-7-8-9-10-11-16(22)25-13-15(21)18(24)17(23)14(20)12-19/h14-15,17-21,23-24H,2-13H2,1H3/t14-,15+,17-,18-/m1/s1
InChIKey
HYZDYRHKPFPODK-CYGHRXIMSA-N
Compound name
[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1778
Patents

364.2461 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.25338 191.2
[M+Na]+ 387.23532 192.5
[M+NH4]+ 382.27992 203.0
[M+K]+ 403.20926 199.9
[M-H]- 363.23882 196.6
[M+Na-2H]- 385.22077 185.1
[M]+ 364.24555 188.2
[M]- 364.24665 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe