CID 165918882

Rac-tert-butyl (1r,2s,6s,7r,8r)-8-amino-4-azatricyclo[5.2.2.0,2,6]undecane-4-carboxylate

Structural Information

Molecular Formula
C15H26N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@H]2[C@@H]3CC[C@H]([C@H]2C1)[C@@H](C3)N
InChI
InChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-7-11-9-4-5-10(12(11)8-17)13(16)6-9/h9-13H,4-8,16H2,1-3H3/t9-,10-,11+,12-,13-/m1/s1
InChIKey
DAVORAFUAMGUBZ-UJPOAAIJSA-N
Compound name
tert-butyl (1R,2S,6S,7R,8R)-8-amino-4-azatricyclo[5.2.2.02,6]undecane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.19943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.206706 166.5
[M+Na]+ 289.188648 169.0
[M-H]- 265.192154 163.3
[M+NH4]+ 284.233253 187.8
[M+K]+ 305.162588 166.7
[M+H-H2O]+ 249.196690 161.6
[M+HCOO]- 311.197631 173.5
[M+CH3COO]- 325.213281 205.0
[M+Na-2H]- 287.174096 170.6
[M]+ 266.19888142 165.5
[M]- 266.19997858 165.5
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.