CID 11659723

Ns00095532

Structural Information

Molecular Formula
C16H30O6
SMILES
CCCCCCCCCC(=O)OCC([C@@H]1[C@H]([C@@H](CO1)O)O)O
InChI
InChI=1S/C16H30O6/c1-2-3-4-5-6-7-8-9-14(19)21-11-13(18)16-15(20)12(17)10-22-16/h12-13,15-18,20H,2-11H2,1H3/t12-,13?,15+,16-/m1/s1
InChIKey
XMRRJFIUQMMSTI-RRZQYYKNSA-N
Compound name
[2-[(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.20422 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.211496 179.7
[M+Na]+ 341.193438 181.8
[M-H]- 317.196944 178.3
[M+NH4]+ 336.238043 192.4
[M+K]+ 357.167378 180.6
[M+H-H2O]+ 301.201480 173.7
[M+HCOO]- 363.202421 193.6
[M+CH3COO]- 377.218071 200.7
[M+Na-2H]- 339.178886 176.2
[M]+ 318.20367142 182.3
[M]- 318.20476858 182.3
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.