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]+ 367.211496 189.3
[M+Na]+ 389.193438 193.5
[M-H]- 365.196944 188.4
[M+NH4]+ 384.238043 202.3
[M+K]+ 405.167378 189.8
[M+H-H2O]+ 349.201480 184.6
[M+HCOO]- 411.202421 203.9
[M+CH3COO]- 425.218071 210.2
[M+Na-2H]- 387.178886 185.9
[M]+ 366.20367142 193.4
[M]- 366.20476858 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.