CID 175456

Prostaglandin m

Structural Information

Molecular Formula
C16H24O7
SMILES
C1CC(=O)[C@@H]([C@H]1[C@@H](CC(=O)CCCC(=O)O)O)CCCC(=O)O
InChI
InChI=1S/C16H24O7/c17-10(3-1-5-15(20)21)9-14(19)12-7-8-13(18)11(12)4-2-6-16(22)23/h11-12,14,19H,1-9H2,(H,20,21)(H,22,23)/t11-,12+,14-/m1/s1
InChIKey
XWBICGCZKGTPCH-MBNYWOFBSA-N
Compound name
(7R)-7-[(1S,2R)-2-(3-carboxypropyl)-3-oxocyclopentyl]-7-hydroxy-5-oxoheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

39
References

23
Patents

328.1522 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.15948 176.8
[M+Na]+ 351.14142 178.9
[M-H]- 327.14492 174.8
[M+NH4]+ 346.18602 189.6
[M+K]+ 367.11536 177.0
[M+H-H2O]+ 311.14946 171.1
[M+HCOO]- 373.15040 190.3
[M+CH3COO]- 387.16605 203.1
[M+Na-2H]- 349.12687 170.3
[M]+ 328.15165 176.9
[M]- 328.15275 176.9
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