CID 5283111

19-hydroxy-pgb2

Structural Information

Molecular Formula
C20H30O5
SMILES
CC(CCC[C@@H](/C=C/C1=C(C(=O)CC1)C/C=C\CCCC(=O)O)O)O
InChI
InChI=1S/C20H30O5/c1-15(21)7-6-8-17(22)13-11-16-12-14-19(23)18(16)9-4-2-3-5-10-20(24)25/h2,4,11,13,15,17,21-22H,3,5-10,12,14H2,1H3,(H,24,25)/b4-2-,13-11+/t15?,17-/m0/s1
InChIKey
PPYRMVKHPFIXEU-BAKUXOMWSA-N
Compound name
(Z)-7-[2-[(E,3S)-3,7-dihydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]hept-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

439
Patents

350.20932 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.21660 189.8
[M+Na]+ 373.19854 191.9
[M-H]- 349.20204 187.6
[M+NH4]+ 368.24314 202.3
[M+K]+ 389.17248 187.0
[M+H-H2O]+ 333.20658 183.6
[M+HCOO]- 395.20752 204.1
[M+CH3COO]- 409.22317 207.8
[M+Na-2H]- 371.18399 182.8
[M]+ 350.20877 190.2
[M]- 350.20987 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe