CID 51136282

(2e)-4-hydroxy-4-{4-hydroxy-2-[(1e)-6-hydroxy-1-hepten-1-yl]cyclopentyl}-2-butenoic acid

Structural Information

Molecular Formula
C16H26O5
SMILES
CC(CCC/C=C/C1CC(CC1C(/C=C/C(=O)O)O)O)O
InChI
InChI=1S/C16H26O5/c1-11(17)5-3-2-4-6-12-9-13(18)10-14(12)15(19)7-8-16(20)21/h4,6-8,11-15,17-19H,2-3,5,9-10H2,1H3,(H,20,21)/b6-4+,8-7+
InChIKey
JFMRAARESGPLQF-GFGVWQOPSA-N
Compound name
(E)-4-hydroxy-4-[4-hydroxy-2-[(E)-6-hydroxyhept-1-enyl]cyclopentyl]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.178 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.185276 175.3
[M+Na]+ 321.167218 177.5
[M-H]- 297.170724 172.0
[M+NH4]+ 316.211823 189.3
[M+K]+ 337.141158 173.4
[M+H-H2O]+ 281.175260 170.0
[M+HCOO]- 343.176201 187.8
[M+CH3COO]- 357.191851 194.9
[M+Na-2H]- 319.152666 168.9
[M]+ 298.17745142 171.8
[M]- 298.17854858 171.8
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.