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 168.9
[M+Na]+ 336.17815 168.2
[M-H]- 312.18165 162.2
[M+NH4]+ 331.22275 184.6
[M+K]+ 352.15209 166.2
[M+H-H2O]+ 296.18619 163.4
[M+HCOO]- 358.18713 166.8
[M+CH3COO]- 372.20278 173.7
[M+Na-2H]- 334.16360 174.7
[M]+ 313.18838 165.4
[M]- 313.18948 165.4
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.