CID 137944237

Rac-tert-butyl (1r,2r,4r,6s)-4-amino-9-azatricyclo[4.2.1.0,2,4]nonane-9-carboxylate

Structural Information

Molecular Formula
C13H22N2O2
SMILES
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]3C[C@@]3(C2)N
InChI
InChI=1S/C13H22N2O2/c1-12(2,3)17-11(16)15-8-4-5-10(15)9-7-13(9,14)6-8/h8-10H,4-7,14H2,1-3H3/t8-,9+,10+,13-/m1/s1
InChIKey
GDNINWDDFKOPSJ-KEPMVKOISA-N
Compound name
tert-butyl (1S,2S,4S,6R)-4-amino-9-azatricyclo[4.2.1.02,4]nonane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17540 161.4
[M+Na]+ 261.15734 170.0
[M-H]- 237.16084 163.7
[M+NH4]+ 256.20194 179.0
[M+K]+ 277.13128 166.4
[M+H-H2O]+ 221.16538 157.2
[M+HCOO]- 283.16632 175.3
[M+CH3COO]- 297.18197 197.5
[M+Na-2H]- 259.14279 165.6
[M]+ 238.16757 163.1
[M]- 238.16867 163.1
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.