CID 14536300

2-o-methylxylose

Structural Information

Molecular Formula
C6H12O5
SMILES
CO[C@@H](C=O)[C@H]([C@@H](CO)O)O
InChI
InChI=1S/C6H12O5/c1-11-5(3-8)6(10)4(9)2-7/h3-7,9-10H,2H2,1H3/t4-,5+,6+/m1/s1
InChIKey
ALNDFFUAQIVVPG-SRQIZXRXSA-N
Compound name
(2R,3S,4R)-3,4,5-trihydroxy-2-methoxypentanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

268
Patents

164.06847 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07575 134.4
[M+Na]+ 187.05769 139.8
[M-H]- 163.06119 130.5
[M+NH4]+ 182.10229 152.6
[M+K]+ 203.03163 140.0
[M+H-H2O]+ 147.06573 129.9
[M+HCOO]- 209.06667 152.0
[M+CH3COO]- 223.08232 171.3
[M+Na-2H]- 185.04314 136.1
[M]+ 164.06792 134.5
[M]- 164.06902 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.