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
2
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]+ 299.185276 173.4
[M+Na]+ 321.167218 177.1
[M-H]- 297.170724 171.7
[M+NH4]+ 316.211823 188.3
[M+K]+ 337.141158 173.3
[M+H-H2O]+ 281.175260 168.1
[M+HCOO]- 343.176201 188.3
[M+CH3COO]- 357.191851 198.2
[M+Na-2H]- 319.152666 168.1
[M]+ 298.17745142 172.8
[M]- 298.17854858 172.8
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