CID 129909604

Lentzeoside c

Structural Information

Molecular Formula
C13H22O6
SMILES
CC/C=C\C=C\CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C13H22O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h3-6,9-17H,2,7-8H2,1H3/b4-3-,6-5+/t9-,10-,11+,12-,13-/m1/s1
InChIKey
TTXIMEBZVOGTTI-RNICAPAVSA-N
Compound name
(2R,3R,4S,5S,6R)-2-[(2E,4Z)-hepta-2,4-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.14163 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.14891 163.7
[M+Na]+ 297.13085 168.6
[M-H]- 273.13435 161.9
[M+NH4]+ 292.17545 176.3
[M+K]+ 313.10479 165.9
[M+H-H2O]+ 257.13889 158.1
[M+HCOO]- 319.13983 177.1
[M+CH3COO]- 333.15548 189.6
[M+Na-2H]- 295.11630 163.4
[M]+ 274.14108 162.7
[M]- 274.14218 162.7
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.