CID 84170

14048-30-7

Structural Information

Molecular Formula
C9H18O6
SMILES
CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)OC)CO)O
InChI
InChI=1S/C9H18O6/c1-12-7-6(11)5(4-10)15-9(14-3)8(7)13-2/h5-11H,4H2,1-3H3/t5-,6-,7+,8-,9+/m1/s1
InChIKey
NTTFSNRBMIOKLX-ZEBDFXRSSA-N
Compound name
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxyoxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

222.11034 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.117616 146.1
[M+Na]+ 245.099558 152.9
[M-H]- 221.103064 147.8
[M+NH4]+ 240.144163 162.4
[M+K]+ 261.073498 154.1
[M+H-H2O]+ 205.107600 140.8
[M+HCOO]- 267.108541 163.6
[M+CH3COO]- 281.124191 184.8
[M+Na-2H]- 243.085006 149.1
[M]+ 222.10979142 149.1
[M]- 222.11088858 149.1
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