CID 11499542

1136-21-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

222.11034 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11762 146.1
[M+Na]+ 245.09956 152.9
[M-H]- 221.10306 147.8
[M+NH4]+ 240.14416 162.4
[M+K]+ 261.07350 154.1
[M+H-H2O]+ 205.10760 140.8
[M+HCOO]- 267.10854 163.6
[M+CH3COO]- 281.12419 184.8
[M+Na-2H]- 243.08501 149.1
[M]+ 222.10979 149.1
[M]- 222.11089 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