CID 16061097

13,14-dihydro-19r-hydroxypge1

Structural Information

Molecular Formula
C20H36O6
SMILES
C[C@H](CCC[C@@H](CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O)O
InChI
InChI=1S/C20H36O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h14-17,19,21-22,24H,2-13H2,1H3,(H,25,26)/t14-,15+,16-,17-,19-/m1/s1
InChIKey
HNLDBJMVKYEERT-FSNPWBFUSA-N
Compound name
7-[(1R,2R,3R)-2-[(3S,7R)-3,7-dihydroxyoctyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

372.2512 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.25848 195.0
[M+Na]+ 395.24042 195.6
[M-H]- 371.24392 191.1
[M+NH4]+ 390.28502 206.0
[M+K]+ 411.21436 192.1
[M+H-H2O]+ 355.24846 189.0
[M+HCOO]- 417.24940 206.0
[M+CH3COO]- 431.26505 212.3
[M+Na-2H]- 393.22587 186.3
[M]+ 372.25065 195.6
[M]- 372.25175 195.6
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