CID 11768891

612-05-5

Structural Information

Molecular Formula
C6H12O5
SMILES
CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O
InChI
InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1
InChIKey
ZBDGHWFPLXXWRD-JGWLITMVSA-N
Compound name
(2R,3R,4S,5R)-2-methoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

1329
Patents

164.06847 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.075746 131.4
[M+Na]+ 187.057688 138.3
[M-H]- 163.061194 131.8
[M+NH4]+ 182.102293 149.1
[M+K]+ 203.031628 138.6
[M+H-H2O]+ 147.065730 126.8
[M+HCOO]- 209.066671 148.2
[M+CH3COO]- 223.082321 169.8
[M+Na-2H]- 185.043136 135.8
[M]+ 164.06792142 129.4
[M]- 164.06901858 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