CID 62142

58846-77-8

Structural Information

Molecular Formula
C16H32O6
SMILES
CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-11H2,1H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey
JDRSMPFHFNXQRB-IBEHDNSVSA-N
Compound name
(2R,3R,4S,5S,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

39
References

31904
Patents

320.21988 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.22716 179.2
[M+Na]+ 343.20910 182.0
[M-H]- 319.21260 176.6
[M+NH4]+ 338.25370 190.0
[M+K]+ 359.18304 179.9
[M+H-H2O]+ 303.21714 172.8
[M+HCOO]- 365.21808 191.2
[M+CH3COO]- 379.23373 201.2
[M+Na-2H]- 341.19455 177.4
[M]+ 320.21933 180.9
[M]- 320.22043 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe