CID 71581109

13,14-dihydro-15-oxo-20-carboxy-pgf2alpha

Structural Information

Molecular Formula
C20H32O7
SMILES
C1[C@H]([C@@H]([C@H]([C@H]1O)C/C=C\CCCC(=O)O)CCC(=O)CCCCC(=O)O)O
InChI
InChI=1S/C20H32O7/c21-14(7-5-6-10-20(26)27)11-12-16-15(17(22)13-18(16)23)8-3-1-2-4-9-19(24)25/h1,3,15-18,22-23H,2,4-13H2,(H,24,25)(H,26,27)/b3-1-/t15-,16-,17+,18-/m1/s1
InChIKey
ZOMSIHPATHBPLP-WBIFQALJSA-N
Compound name
8-[(1R,2R,3S,5R)-2-[(Z)-6-carboxyhex-2-enyl]-3,5-dihydroxycyclopentyl]-6-oxooctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2148 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.22208 194.3
[M+Na]+ 407.20402 195.4
[M-H]- 383.20752 190.5
[M+NH4]+ 402.24862 204.6
[M+K]+ 423.17796 191.3
[M+H-H2O]+ 367.21206 188.3
[M+HCOO]- 429.21300 205.9
[M+CH3COO]- 443.22865 212.4
[M+Na-2H]- 405.18947 185.9
[M]+ 384.21425 194.9
[M]- 384.21535 194.9
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.