CID 52921878

Tetranor-pgf1alpha

Structural Information

Molecular Formula
C16H28O5
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CCC(=O)O)O)O)O
InChI
InChI=1S/C16H28O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h6-7,11-15,17-19H,2-5,8-10H2,1H3,(H,20,21)/b7-6+/t11-,12+,13+,14+,15-/m0/s1
InChIKey
NPXVWXIFJJRRLX-BFBQWKKPSA-N
Compound name
3-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

300.19366 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.20094 175.4
[M+Na]+ 323.18288 178.3
[M-H]- 299.18638 172.3
[M+NH4]+ 318.22748 189.6
[M+K]+ 339.15682 174.3
[M+H-H2O]+ 283.19092 170.1
[M+HCOO]- 345.19186 188.6
[M+CH3COO]- 359.20751 196.7
[M+Na-2H]- 321.16833 169.6
[M]+ 300.19311 173.6
[M]- 300.19421 173.6
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

patents stripe