CID 15518059

2-((1r,2r,3r,5s)-3,5-dihydroxy-2-((s,e)-3-hydroxyoct-1-en-1-yl)cyclopentyl)acetic acid

Structural Information

Molecular Formula
C15H26O5
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC(=O)O)O)O)O
InChI
InChI=1S/C15H26O5/c1-2-3-4-5-10(16)6-7-11-12(8-15(19)20)14(18)9-13(11)17/h6-7,10-14,16-18H,2-5,8-9H2,1H3,(H,19,20)/b7-6+/t10-,11+,12+,13+,14-/m0/s1
InChIKey
UCRYUXJCACOTHB-FNLFQXNBSA-N
Compound name
2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

286.178 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.185276 170.9
[M+Na]+ 309.167218 174.3
[M-H]- 285.170724 168.0
[M+NH4]+ 304.211823 185.7
[M+K]+ 325.141158 170.6
[M+H-H2O]+ 269.175260 165.9
[M+HCOO]- 331.176201 184.5
[M+CH3COO]- 345.191851 193.7
[M+Na-2H]- 307.152666 165.6
[M]+ 286.17745142 168.8
[M]- 286.17854858 168.8
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.