CID 23283006

202797-03-3

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1C2CCCC1CC(C2)N
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-10-5-4-6-11(15)8-9(14)7-10/h9-11H,4-8,14H2,1-3H3
InChIKey
WVEPNZWEHKIHOM-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

240.18378 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 159.2
[M+Na]+ 263.17300 163.1
[M-H]- 239.17650 159.0
[M+NH4]+ 258.21760 176.8
[M+K]+ 279.14694 161.4
[M+H-H2O]+ 223.18104 153.2
[M+HCOO]- 285.18198 171.9
[M+CH3COO]- 299.19763 195.6
[M+Na-2H]- 261.15845 162.2
[M]+ 240.18323 154.5
[M]- 240.18433 154.5
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

patents stripe