CID 6436309

Sorbitol monooleate

Structural Information

Molecular Formula
C24H46O7
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C24H46O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)31-19-21(27)24(30)23(29)20(26)18-25/h9-10,20-21,23-27,29-30H,2-8,11-19H2,1H3/b10-9-/t20-,21+,23-,24-/m1/s1
InChIKey
WERKSKAQRVDLDW-ANOHMWSOSA-N
Compound name
[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40355
Patents

446.32434 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.33162 215.8
[M+Na]+ 469.31356 218.1
[M-H]- 445.31706 208.6
[M+NH4]+ 464.35816 213.4
[M+K]+ 485.28750 216.0
[M+H-H2O]+ 429.32160 213.8
[M+HCOO]- 491.32254 210.7
[M+CH3COO]- 505.33819 223.7
[M+Na-2H]- 467.29901 202.0
[M]+ 446.32379 210.9
[M]- 446.32489 210.9
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

patents stripe