CID 10983294

6-deoxy-6-(2-ethylheyl)amino-alpha,alpha-trehalose

Structural Information

Molecular Formula
C20H39NO10
SMILES
CCCCC(CC)CNC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O
InChI
InChI=1S/C20H39NO10/c1-3-5-6-10(4-2)7-21-8-11-13(23)15(25)17(27)19(29-11)31-20-18(28)16(26)14(24)12(9-22)30-20/h10-28H,3-9H2,1-2H3/t10?,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1
InChIKey
XDOLMXIOSVFPSW-SWRVSKMJSA-N
Compound name
(2R,3S,4S,5R,6R)-2-[(2-ethylhexylamino)methyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

453.2574 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.26468 210.4
[M+Na]+ 476.24662 209.7
[M-H]- 452.25012 207.6
[M+NH4]+ 471.29122 211.7
[M+K]+ 492.22056 209.9
[M+H-H2O]+ 436.25466 202.6
[M+HCOO]- 498.25560 213.0
[M+CH3COO]- 512.27125 228.2
[M+Na-2H]- 474.23207 203.4
[M]+ 453.25685 208.5
[M]- 453.25795 208.5
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.