CID 131753063

(z)-2-methyl-2-butene-1,4-diol 4-o-beta-d-glucopyranoside

Structural Information

Molecular Formula
C11H20O7
SMILES
C/C(=C/COC1C(C(C(C(O1)CO)O)O)O)/CO
InChI
InChI=1S/C11H20O7/c1-6(4-12)2-3-17-11-10(16)9(15)8(14)7(5-13)18-11/h2,7-16H,3-5H2,1H3/b6-2-
InChIKey
MTNPSFBFGZMJPZ-KXFIGUGUSA-N
Compound name
2-(hydroxymethyl)-6-[(Z)-4-hydroxy-3-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]+ 265.12818 158.9
[M+Na]+ 287.11012 165.1
[M+NH4]+ 282.15472 162.1
[M+K]+ 303.08406 164.3
[M-H]- 263.11362 156.4
[M+Na-2H]- 285.09557 156.3
[M]+ 264.12035 158.3
[M]- 264.12145 158.3
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.