CID 447147

Alpha-abequopyranose

Structural Information

Molecular Formula
C6H12O4
SMILES
C[C@@H]1[C@@H](C[C@H]([C@H](O1)O)O)O
InChI
InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
InChIKey
KYPWIZMAJMNPMJ-KAZBKCHUSA-N
Compound name
(2S,3R,5R,6R)-6-methyloxane-2,3,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

182
Patents

148.07356 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08084 129.0
[M+Na]+ 171.06278 136.0
[M-H]- 147.06628 129.5
[M+NH4]+ 166.10738 147.4
[M+K]+ 187.03672 135.8
[M+H-H2O]+ 131.07082 124.7
[M+HCOO]- 193.07176 145.5
[M+CH3COO]- 207.08741 167.5
[M+Na-2H]- 169.04823 133.3
[M]+ 148.07301 125.5
[M]- 148.07411 125.5
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