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

269
Patents

164.06847 Da
Monoisotopic Mass

-1.8
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

literature stripe

Patent stripe

patents stripe