CID 171116168

8-f1t-(dihomo)-phytop-dgla

Structural Information

Molecular Formula
C20H36O5
SMILES
CCCCC[C@H]1[C@@H](C[C@@H]([C@H]1/C=C/[C@H](CCCCCCC(=O)O)O)O)O
InChI
InChI=1S/C20H36O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17-,18+,19-/m0/s1
InChIKey
XHGYWJIULSRISD-NWFNLRAQSA-N
Compound name
(E,8S)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.2563 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.26358 192.9
[M+Na]+ 379.24552 194.1
[M-H]- 355.24902 189.1
[M+NH4]+ 374.29012 204.9
[M+K]+ 395.21946 189.3
[M+H-H2O]+ 339.25356 187.0
[M+HCOO]- 401.25450 204.8
[M+CH3COO]- 415.27015 208.5
[M+Na-2H]- 377.23097 185.2
[M]+ 356.25575 192.6
[M]- 356.25685 192.6
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.