CID 3075383

Beta-d-mannopyranosylamine, n-tricyclo(3.3.1.1(sup 3,7))dec-2-yl-

Structural Information

Molecular Formula
C16H27NO5
SMILES
C1C2CC3CC1CC(C2)C3N[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C16H27NO5/c18-6-11-13(19)14(20)15(21)16(22-11)17-12-9-2-7-1-8(4-9)5-10(12)3-7/h7-21H,1-6H2/t7?,8?,9?,10?,11-,12?,13-,14+,15+,16-/m1/s1
InChIKey
BVDICQBZZFOMDH-MVVQCOJZSA-N
Compound name
(2R,3S,4S,5S,6R)-2-(2-adamantylamino)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.18893 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.19621 165.2
[M+Na]+ 336.17815 171.2
[M+NH4]+ 331.22275 173.7
[M+K]+ 352.15209 167.2
[M-H]- 312.18165 163.9
[M+Na-2H]- 334.16360 157.2
[M]+ 313.18838 165.2
[M]- 313.18948 165.2
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.