CID 76094517

Ns00095389

Structural Information

Molecular Formula
C14H28O6
SMILES
CCCC(CCC)COC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C14H28O6/c1-3-5-9(6-4-2)8-19-14-13(18)12(17)11(16)10(7-15)20-14/h9-18H,3-8H2,1-2H3
InChIKey
LIASRAIUTPUZSW-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1886 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.195876 170.8
[M+Na]+ 315.177818 174.3
[M-H]- 291.181324 168.7
[M+NH4]+ 310.222423 182.7
[M+K]+ 331.151758 173.2
[M+H-H2O]+ 275.185860 165.0
[M+HCOO]- 337.186801 182.5
[M+CH3COO]- 351.202451 196.3
[M+Na-2H]- 313.163266 168.8
[M]+ 292.18805142 171.1
[M]- 292.18914858 171.1
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.