CID 53649273

2-o-methylarabinose

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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

literature stripe

Patent stripe

patents stripe