CID 86289785

1355682-23-3

Structural Information

Molecular Formula
C21H38O6
SMILES
C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCC/C=C/C(=O)O)O)O
InChI
InChI=1S/C21H38O6/c1-17-18(22)16-19(23)21(27-17)26-15-13-11-9-7-5-3-2-4-6-8-10-12-14-20(24)25/h12,14,17-19,21-23H,2-11,13,15-16H2,1H3,(H,24,25)/b14-12+/t17-,18+,19+,21+/m0/s1
InChIKey
FOEYOFVRRORADU-KMIVUYPQSA-N
Compound name
(E)-15-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxypentadec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

386.26685 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.27413 198.8
[M+Na]+ 409.25607 199.3
[M-H]- 385.25957 196.4
[M+NH4]+ 404.30067 207.0
[M+K]+ 425.23001 196.2
[M+H-H2O]+ 369.26411 191.4
[M+HCOO]- 431.26505 210.0
[M+CH3COO]- 445.28070 215.8
[M+Na-2H]- 407.24152 194.4
[M]+ 386.26630 201.5
[M]- 386.26740 201.5
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.