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]+ 267.20671 166.5
[M+Na]+ 289.18865 169.0
[M-H]- 265.19215 163.3
[M+NH4]+ 284.23325 187.8
[M+K]+ 305.16259 166.7
[M+H-H2O]+ 249.19669 161.6
[M+HCOO]- 311.19763 173.5
[M+CH3COO]- 325.21328 205.0
[M+Na-2H]- 287.17410 170.6
[M]+ 266.19888 165.5
[M]- 266.19998 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.