CID 16061100

9s,11r-dihydroxy-15-oxo-prostanoic acid

Structural Information

Molecular Formula
C20H36O5
SMILES
CCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O
InChI
InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h16-19,22-23H,2-14H2,1H3,(H,24,25)/t16-,17-,18+,19-/m1/s1
InChIKey
FVPKMMQYALWZHV-AKHDSKFASA-N
Compound name
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]heptanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

356.2563 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.26358 192.3
[M+Na]+ 379.24552 193.8
[M-H]- 355.24902 189.8
[M+NH4]+ 374.29012 204.9
[M+K]+ 395.21946 189.8
[M+H-H2O]+ 339.25356 186.2
[M+HCOO]- 401.25450 205.7
[M+CH3COO]- 415.27015 211.4
[M+Na-2H]- 377.23097 185.0
[M]+ 356.25575 194.0
[M]- 356.25685 194.0
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