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]+ 239.175396 161.4
[M+Na]+ 261.157338 170.0
[M-H]- 237.160844 163.7
[M+NH4]+ 256.201943 179.0
[M+K]+ 277.131278 166.4
[M+H-H2O]+ 221.165380 157.2
[M+HCOO]- 283.166321 175.3
[M+CH3COO]- 297.181971 197.5
[M+Na-2H]- 259.142786 165.6
[M]+ 238.16757142 163.1
[M]- 238.16866858 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.