CID 44600450

13,14-dihydro-15-keto-tetranor prostaglandin d2

Structural Information

Molecular Formula
C16H26O5
SMILES
CCCCCC(=O)CC[C@@H]1[C@H]([C@H](CC1=O)O)CCC(=O)O
InChI
InChI=1S/C16H26O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h12-13,15,19H,2-10H2,1H3,(H,20,21)/t12-,13-,15+/m1/s1
InChIKey
CIXGXJHOQWHINC-NFAWXSAZSA-N
Compound name
3-[(1R,2R,5S)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

298.178 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.18528 172.4
[M+Na]+ 321.16722 176.5
[M-H]- 297.17072 172.2
[M+NH4]+ 316.21182 188.0
[M+K]+ 337.14116 173.5
[M+H-H2O]+ 281.17526 166.9
[M+HCOO]- 343.17620 188.9
[M+CH3COO]- 357.19185 201.1
[M+Na-2H]- 319.15267 167.7
[M]+ 298.17745 173.9
[M]- 298.17855 173.9
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

patents stripe