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]+ 314.196206 168.9
[M+Na]+ 336.178148 168.2
[M-H]- 312.181654 162.2
[M+NH4]+ 331.222753 184.6
[M+K]+ 352.152088 166.2
[M+H-H2O]+ 296.186190 163.4
[M+HCOO]- 358.187131 166.8
[M+CH3COO]- 372.202781 173.7
[M+Na-2H]- 334.163596 174.7
[M]+ 313.18838142 165.4
[M]- 313.18947858 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.