CID 53394230

6beta-pgi1

Structural Information

Molecular Formula
C20H34O5
SMILES
CCCCCC(C=CC1C2CC(OC2CC1O)CCCCC(=O)O)O
InChI
InChI=1S/C20H34O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h10-11,14-19,21-22H,2-9,12-13H2,1H3,(H,23,24)
InChIKey
RJADQDXZYFCVHV-UHFFFAOYSA-N
Compound name
5-[5-hydroxy-4-(3-hydroxyoct-1-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

0
Patents

354.24063 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.247906 193.1
[M+Na]+ 377.229848 194.8
[M-H]- 353.233354 192.2
[M+NH4]+ 372.274453 207.1
[M+K]+ 393.203788 191.2
[M+H-H2O]+ 337.237890 188.3
[M+HCOO]- 399.238831 204.5
[M+CH3COO]- 413.254481 209.1
[M+Na-2H]- 375.215296 186.6
[M]+ 354.24008142 193.3
[M]- 354.24117858 193.3
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

No patent data available for this compound.