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

10
Patents

286.178 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.18528 170.9
[M+Na]+ 309.16722 174.3
[M-H]- 285.17072 168.0
[M+NH4]+ 304.21182 185.7
[M+K]+ 325.14116 170.6
[M+H-H2O]+ 269.17526 165.9
[M+HCOO]- 331.17620 184.5
[M+CH3COO]- 345.19185 193.7
[M+Na-2H]- 307.15267 165.6
[M]+ 286.17745 168.8
[M]- 286.17855 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

patents stripe