CID 25262459

Mannide monooleate

Structural Information

Molecular Formula
C24H44O7
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)31-24-23(29)22(28)21(27)19(18-25)30-24/h9-10,19,21-25,27-29H,2-8,11-18H2,1H3/b10-9-/t19-,21-,22+,23+,24?/m1/s1
InChIKey
LUXUAZKGQZPOBZ-SAXJAHGMSA-N
Compound name
[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

88
References

5692
Patents

444.30872 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.31600 213.8
[M+Na]+ 467.29794 217.8
[M+NH4]+ 462.34254 214.7
[M+K]+ 483.27188 213.7
[M-H]- 443.30144 211.0
[M+Na-2H]- 465.28339 208.5
[M]+ 444.30817 212.8
[M]- 444.30927 212.8
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