CID 92136206

2-octanoyl-3-(beta-d-galactosyl)-sn-glycerol

Structural Information

Molecular Formula
C17H32O9
SMILES
CCCCCCCC(=O)O[C@H](CO)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C17H32O9/c1-2-3-4-5-6-7-13(20)25-11(8-18)10-24-17-16(23)15(22)14(21)12(9-19)26-17/h11-12,14-19,21-23H,2-10H2,1H3/t11-,12-,14+,15+,16-,17-/m1/s1
InChIKey
NNHSWMTXJFHTRP-XUGNVDHISA-N
Compound name
[(2R)-1-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.20462 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21190 189.5
[M+Na]+ 403.19384 193.0
[M+NH4]+ 398.23844 190.3
[M+K]+ 419.16778 192.8
[M-H]- 379.19734 185.4
[M+Na-2H]- 401.17929 184.2
[M]+ 380.20407 187.9
[M]- 380.20517 187.9
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

No patent data available for this compound.