CID 6453801

D-glucitol, 1,4-anhydro-, 6-(9-octadecenoate), (z)-

Structural Information

Molecular Formula
C24H44O6
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)C1[C@@H]([C@H](CO1)O)O
InChI
InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)30-21(18-25)24-23(28)20(26)19-29-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/b10-9-/t20-,21+,23+,24?/m0/s1
InChIKey
MPZLHRXPRGLWEB-BFWOXRRGSA-N
Compound name
[(1R)-1-[(3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.31378 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.32106 212.3
[M+Na]+ 451.30300 215.1
[M+NH4]+ 446.34760 213.9
[M+K]+ 467.27694 212.6
[M-H]- 427.30650 209.4
[M+Na-2H]- 449.28845 207.0
[M]+ 428.31323 211.1
[M]- 428.31433 211.1
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.