CID 86289665

1355681-45-6

Structural Information

Molecular Formula
C14H24O6
SMILES
C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCC/C=C/C(=O)O)O)O
InChI
InChI=1S/C14H24O6/c1-9(6-4-3-5-7-13(17)18)19-14-12(16)8-11(15)10(2)20-14/h5,7,9-12,14-16H,3-4,6,8H2,1-2H3,(H,17,18)/b7-5+/t9-,10+,11-,12-,14-/m1/s1
InChIKey
OZXQOEFFYWNZJI-UYWLPYIRSA-N
Compound name
(E,7R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyoct-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

288.1573 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16458 167.9
[M+Na]+ 311.14652 171.4
[M-H]- 287.15002 167.0
[M+NH4]+ 306.19112 180.2
[M+K]+ 327.12046 170.3
[M+H-H2O]+ 271.15456 162.0
[M+HCOO]- 333.15550 180.6
[M+CH3COO]- 347.17115 196.0
[M+Na-2H]- 309.13197 165.9
[M]+ 288.15675 167.6
[M]- 288.15785 167.6
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.