CID 489621

Nsc679181

Structural Information

Molecular Formula
C16H28O11
SMILES
C=CCCC1([C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@@]2([C@@H]([C@H]([C@@H](O2)CO)O)O)CO)CO)O)O
InChI
InChI=1S/C16H28O11/c1-2-3-4-15(24)11(21)9(6-18)25-14(13(15)23)27-16(7-19)12(22)10(20)8(5-17)26-16/h2,8-14,17-24H,1,3-7H2/t8-,9+,10-,11+,12+,13-,14+,15?,16+/m0/s1
InChIKey
ZTCFWFSSFJXJPS-WOWQRGFOSA-N
Compound name
(2R,3R,5R,6R)-4-but-3-enyl-2-[(2R,3R,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.16315 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.17043 185.0
[M+Na]+ 419.15237 188.6
[M-H]- 395.15587 182.0
[M+NH4]+ 414.19697 193.9
[M+K]+ 435.12631 188.1
[M+H-H2O]+ 379.16041 182.2
[M+HCOO]- 441.16135 189.8
[M+CH3COO]- 455.17700 206.5
[M+Na-2H]- 417.13782 184.3
[M]+ 396.16260 184.9
[M]- 396.16370 184.9
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.