CID 44595344

1198466-20-4

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CCCC(C1)C2N
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-9-5-4-6-10(8-15)11(9)14/h9-11H,4-8,14H2,1-3H3
InChIKey
QOQQKPHJTZRKSK-UHFFFAOYSA-N
Compound name
tert-butyl 9-amino-3-azabicyclo[3.3.1]nonane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

240.18378 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 157.0
[M+Na]+ 263.17300 164.8
[M+NH4]+ 258.21760 164.4
[M+K]+ 279.14694 160.4
[M-H]- 239.17650 156.7
[M+Na-2H]- 261.15845 157.6
[M]+ 240.18323 157.6
[M]- 240.18433 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe