CID 137944237

2287239-08-9

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 156.8
[M+Na]+ 261.15734 165.9
[M+NH4]+ 256.20194 166.8
[M+K]+ 277.13128 162.8
[M-H]- 237.16084 163.3
[M+Na-2H]- 259.14279 160.4
[M]+ 238.16757 161.0
[M]- 238.16867 161.0
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.