CID 90659869

15-dehydroprostaglandin a1(1-)

Structural Information

Molecular Formula
C20H30O4
SMILES
CCCCCC(=O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O
InChI
InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-16,18H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,18+/m0/s1
InChIKey
YKXHFAJZOFTAOC-DTXSUPOZSA-N
Compound name
7-[(1R,5S)-2-oxo-5-[(E)-3-oxooct-1-enyl]cyclopent-3-en-1-yl]heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.21442 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.22170 186.0
[M+Na]+ 357.20364 192.5
[M+NH4]+ 352.24824 189.9
[M+K]+ 373.17758 188.4
[M-H]- 333.20714 183.8
[M+Na-2H]- 355.18909 185.0
[M]+ 334.21387 185.7
[M]- 334.21497 185.7
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

No patent data available for this compound.