CID 97545873

151843-03-7

Structural Information

Molecular Formula
C18H34O12
SMILES
C(CCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)CCO
InChI
InChI=1S/C18H34O12/c19-5-3-1-2-4-6-27-17-15(25)14(24)12(22)10(30-17)8-28-18-16(26)13(23)11(21)9(7-20)29-18/h9-26H,1-8H2/t9-,10-,11+,12+,13+,14+,15-,16-,17-,18-/m1/s1
InChIKey
HGBGLTOHEHFQKS-RZWXNVOYSA-N
Compound name
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(6-hydroxyhexoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.20502 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.21230 200.5
[M+Na]+ 465.19424 200.7
[M-H]- 441.19774 196.7
[M+NH4]+ 460.23884 201.7
[M+K]+ 481.16818 201.4
[M+H-H2O]+ 425.20228 192.8
[M+HCOO]- 487.20322 202.6
[M+CH3COO]- 501.21887 218.9
[M+Na-2H]- 463.17969 195.6
[M]+ 442.20447 200.5
[M]- 442.20557 200.5
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.