CID 57349724

3-o-methyl-d-arabinose

Structural Information

Molecular Formula
C6H12O5
SMILES
CO[C@H]([C@@H](CO)O)[C@@H](C=O)O
InChI
InChI=1S/C6H12O5/c1-11-6(4(9)2-7)5(10)3-8/h2,4-6,8-10H,3H2,1H3/t4-,5-,6+/m1/s1
InChIKey
JNAZNWGFTWHNTH-PBXRRBTRSA-N
Compound name
(2S,3R,4R)-2,4,5-trihydroxy-3-methoxypentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

164.06847 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.075746 134.4
[M+Na]+ 187.057688 139.8
[M-H]- 163.061194 130.5
[M+NH4]+ 182.102293 152.6
[M+K]+ 203.031628 140.0
[M+H-H2O]+ 147.065730 129.9
[M+HCOO]- 209.066671 152.0
[M+CH3COO]- 223.082321 171.3
[M+Na-2H]- 185.043136 136.1
[M]+ 164.06792142 134.5
[M]- 164.06901858 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.