CID 52921880

Tetranor-pgd1

Structural Information

Molecular Formula
C16H26O5
SMILES
CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)CCC(=O)O)O
InChI
InChI=1S/C16H26O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h6-7,11-13,15,17,19H,2-5,8-10H2,1H3,(H,20,21)/b7-6+/t11-,12+,13+,15-/m0/s1
InChIKey
WWXNENYSZDYEHL-GLANRUKVSA-N
Compound name
3-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

298.178 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.18528 173.8
[M+Na]+ 321.16722 178.8
[M+NH4]+ 316.21182 177.2
[M+K]+ 337.14116 177.3
[M-H]- 297.17072 170.2
[M+Na-2H]- 319.15267 171.1
[M]+ 298.17745 172.7
[M]- 298.17855 172.7
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

patents stripe