CID 131751366

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

Structural Information

Molecular Formula
C11H20O6
SMILES
C/C=C(\C)/COC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C11H20O6/c1-3-6(2)5-16-11-10(15)9(14)8(13)7(4-12)17-11/h3,7-15H,4-5H2,1-2H3/b6-3+
InChIKey
RQSHFEQQQBCYNX-ZZXKWVIFSA-N
Compound name
2-(hydroxymethyl)-6-[(E)-2-methylbut-2-enoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.12599 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.133266 156.2
[M+Na]+ 271.115208 161.3
[M-H]- 247.118714 154.7
[M+NH4]+ 266.159813 169.8
[M+K]+ 287.089148 160.2
[M+H-H2O]+ 231.123250 151.0
[M+HCOO]- 293.124191 169.1
[M+CH3COO]- 307.139841 185.9
[M+Na-2H]- 269.100656 155.7
[M]+ 248.12544142 154.6
[M]- 248.12653858 154.6
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.