CID 105502335

Tert-butyl 1-(aminomethyl)-3-azabicyclo[3.2.1]octane-3-carboxylate

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CCC(C2)(C1)CN
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-7-10-4-5-13(6-10,8-14)9-15/h10H,4-9,14H2,1-3H3
InChIKey
AJJJIXHZQXEYCO-UHFFFAOYSA-N
Compound name
tert-butyl 1-(aminomethyl)-3-azabicyclo[3.2.1]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 160.0
[M+Na]+ 263.17300 164.8
[M-H]- 239.17650 160.1
[M+NH4]+ 258.21760 181.3
[M+K]+ 279.14694 163.2
[M+H-H2O]+ 223.18104 155.0
[M+HCOO]- 285.18198 174.9
[M+CH3COO]- 299.19763 193.4
[M+Na-2H]- 261.15845 163.5
[M]+ 240.18323 157.4
[M]- 240.18433 157.4
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.