CID 131753062

2-(hydroxymethyl)-6-[(z)-4-hydroxy-2-methylbut-2-enoxy]oxane-3,4,5-triol

Structural Information

Molecular Formula
C11H20O7
SMILES
C/C(=C/CO)/COC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C11H20O7/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-16H,3-5H2,1H3/b6-2-
InChIKey
CCMAOVDWTXGECN-KXFIGUGUSA-N
Compound name
2-(hydroxymethyl)-6-[(Z)-4-hydroxy-2-methylbut-2-enoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1209 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.128176 159.0
[M+Na]+ 287.110118 163.5
[M-H]- 263.113624 156.1
[M+NH4]+ 282.154723 171.1
[M+K]+ 303.084058 162.2
[M+H-H2O]+ 247.118160 153.7
[M+HCOO]- 309.119101 170.5
[M+CH3COO]- 323.134751 186.2
[M+Na-2H]- 285.095566 158.1
[M]+ 264.12035142 157.1
[M]- 264.12144858 157.1
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

No patent data available for this compound.