CID 193736

3-o-methyl-l-xylose

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-SRQIZXRXSA-N
Compound name
(2S,3R,4S)-2,4,5-trihydroxy-3-methoxypentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

164.06847 Da
Monoisotopic Mass

-2.3
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

literature stripe

Patent stripe

patents stripe