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

2
Patents

334.21442 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.221696 185.8
[M+Na]+ 357.203638 189.2
[M-H]- 333.207144 186.3
[M+NH4]+ 352.248243 200.5
[M+K]+ 373.177578 184.7
[M+H-H2O]+ 317.211680 179.2
[M+HCOO]- 379.212621 204.0
[M+CH3COO]- 393.228271 210.2
[M+Na-2H]- 355.189086 180.8
[M]+ 334.21387142 189.4
[M]- 334.21496858 189.4
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.