CID 129909605

Lentzeoside b

Structural Information

Molecular Formula
C13H22O5
SMILES
CC/C=C\C=C\CO[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
InChI
InChI=1S/C13H22O5/c1-3-4-5-6-7-8-17-13-12(16)11(15)10(14)9(2)18-13/h4-7,9-16H,3,8H2,1-2H3/b5-4-,7-6+/t9-,10-,11+,12+,13-/m0/s1
InChIKey
QTTXYRXOYFRRNY-RLGUVCPSSA-N
Compound name
(2S,3R,4R,5R,6S)-2-[(2E,4Z)-hepta-2,4-dienoxy]-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.14673 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15401 160.6
[M+Na]+ 281.13595 166.2
[M-H]- 257.13945 160.3
[M+NH4]+ 276.18055 174.8
[M+K]+ 297.10989 163.7
[M+H-H2O]+ 241.14399 155.2
[M+HCOO]- 303.14493 175.4
[M+CH3COO]- 317.16058 189.5
[M+Na-2H]- 279.12140 160.8
[M]+ 258.14618 160.1
[M]- 258.14728 160.1
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.