2,3-dinor-11b-pgf2alpha (C18H30O5)

Structural Information

Molecular Formula

SMILES

CCCCC[C@@H](/C=C/[C@H]1[C@H](C[C@@H]([C@@H]1C/C=C\CC(=O)O)O)O)O

InChI

InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-17,19-21H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14+,15+,16-,17-/m0/s1

InChIKey

IDKLJIUIJUVJNR-KSJYGFEGSA-N

Compound name

(Z)-5-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	327.216596	183.1
[M+Na]+	349.198538	185.6
[M-H]-	325.202044	179.7
[M+NH4]+	344.243143	196.3
[M+K]+	365.172478	180.6
[M+H-H2O]+	309.206580	177.7
[M+HCOO]-	371.207521	195.9
[M+CH3COO]-	385.223171	201.2
[M+Na-2H]-	347.183986	176.4
[M]+	326.20877142	181.3
[M]-	326.20986858	181.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

327.216596

183.1

[M+Na]+

349.198538

185.6

[M-H]-

325.202044

179.7

[M+NH4]+

344.243143

196.3

[M+K]+

365.172478

180.6

[M+H-H2O]+

309.206580

177.7

[M+HCOO]-

371.207521

195.9

[M+CH3COO]-

385.223171

201.2

[M+Na-2H]-

347.183986

176.4

[M]+

326.20877142

181.3

[M]-

326.20986858

181.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2,3-dinor-11b-pgf2alpha

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe