CID 56935879

Ox-lgd2

Structural Information

Molecular Formula
C20H30O6
SMILES
CCCCC[C@@H](/C=C/C1=C(C(=O)OC1(C)O)C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H30O6/c1-3-4-7-10-15(21)13-14-17-16(19(24)26-20(17,2)25)11-8-5-6-9-12-18(22)23/h5,8,13-15,21,25H,3-4,6-7,9-12H2,1-2H3,(H,22,23)/b8-5-,14-13+/t15-,20?/m0/s1
InChIKey
RAQOIYLDXSAKSS-DPLATEDBSA-N
Compound name
(Z)-7-[5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-5-methyl-2-oxofuran-3-yl]hept-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.20422 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21150 189.3
[M+Na]+ 389.19344 193.5
[M-H]- 365.19694 188.4
[M+NH4]+ 384.23804 202.3
[M+K]+ 405.16738 189.8
[M+H-H2O]+ 349.20148 184.6
[M+HCOO]- 411.20242 203.9
[M+CH3COO]- 425.21807 210.2
[M+Na-2H]- 387.17889 185.9
[M]+ 366.20367 193.4
[M]- 366.20477 193.4
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.