CID 5318045

(2r,3r,4s,5s,6r)-2-[(z)-hex-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula
C12H22O6
SMILES
CC/C=C\CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C12H22O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h3-4,8-16H,2,5-7H2,1H3/b4-3-/t8-,9-,10+,11-,12-/m1/s1
InChIKey
OZIPFYKAIOOVEJ-ODWUMMNUSA-N
Compound name
(2R,3R,4S,5S,6R)-2-[(Z)-hex-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
Patents

262.14163 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14891 160.4
[M+Na]+ 285.13085 165.3
[M-H]- 261.13435 158.7
[M+NH4]+ 280.17545 173.5
[M+K]+ 301.10479 163.4
[M+H-H2O]+ 245.13889 154.9
[M+HCOO]- 307.13983 173.9
[M+CH3COO]- 321.15548 187.9
[M+Na-2H]- 283.11630 160.6
[M]+ 262.14108 159.8
[M]- 262.14218 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.