CID 86289791

1355682-33-5

Structural Information

Molecular Formula
C24H44O6
SMILES
C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCCCCC/C=C/C(=O)O)O)O
InChI
InChI=1S/C24H44O6/c1-20-21(25)19-22(26)24(30-20)29-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-23(27)28/h15,17,20-22,24-26H,2-14,16,18-19H2,1H3,(H,27,28)/b17-15+/t20-,21+,22+,24+/m0/s1
InChIKey
VXOVWFJOWNESCS-PGYXGQNHSA-N
Compound name
(E)-18-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyoctadec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

428.31378 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.32106 211.7
[M+Na]+ 451.30300 211.0
[M-H]- 427.30650 208.7
[M+NH4]+ 446.34760 218.3
[M+K]+ 467.27694 207.2
[M+H-H2O]+ 411.31104 203.8
[M+HCOO]- 473.31198 222.0
[M+CH3COO]- 487.32763 224.6
[M+Na-2H]- 449.28845 205.9
[M]+ 428.31323 215.6
[M]- 428.31433 215.6
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.