CID 129909621

Lentzeoside e

Structural Information

Molecular Formula
C12H22O5
SMILES
CC/C=C\CCO[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
InChI
InChI=1S/C12H22O5/c1-3-4-5-6-7-16-12-11(15)10(14)9(13)8(2)17-12/h4-5,8-15H,3,6-7H2,1-2H3/b5-4-/t8-,9-,10+,11+,12-/m0/s1
InChIKey
WISRVXNPTCBHAD-DVHCVQQTSA-N
Compound name
(2S,3R,4R,5R,6S)-2-[(Z)-hex-3-enoxy]-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.14673 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15401 157.4
[M+Na]+ 269.13595 162.9
[M-H]- 245.13945 157.1
[M+NH4]+ 264.18055 172.0
[M+K]+ 285.10989 161.3
[M+H-H2O]+ 229.14399 152.0
[M+HCOO]- 291.14493 172.3
[M+CH3COO]- 305.16058 187.8
[M+Na-2H]- 267.12140 158.0
[M]+ 246.14618 157.2
[M]- 246.14728 157.2
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.