CID 99057

2-methoxyoxane-3,4,5-triol

Structural Information

Molecular Formula
C6H12O5
SMILES
COC1C(C(C(CO1)O)O)O
InChI
InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3
InChIKey
ZBDGHWFPLXXWRD-UHFFFAOYSA-N
Compound name
2-methoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

787
Patents

164.06847 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07575 131.4
[M+Na]+ 187.05769 138.3
[M-H]- 163.06119 131.8
[M+NH4]+ 182.10229 149.1
[M+K]+ 203.03163 138.6
[M+H-H2O]+ 147.06573 126.8
[M+HCOO]- 209.06667 148.2
[M+CH3COO]- 223.08232 169.8
[M+Na-2H]- 185.04314 135.8
[M]+ 164.06792 129.4
[M]- 164.06902 129.4
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