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 214.2
[M+Na]+ 451.30300 213.1
[M-H]- 427.30650 211.2
[M+NH4]+ 446.34760 222.3
[M+K]+ 467.27694 209.6
[M+H-H2O]+ 411.31104 206.9
[M+HCOO]- 473.31198 225.5
[M+CH3COO]- 487.32763 222.8
[M+Na-2H]- 449.28845 206.6
[M]+ 428.31323 218.8
[M]- 428.31433 218.8
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.