CID 74788412

Tert-butyl 8-(aminomethyl)-3-azabicyclo[3.2.1]octane-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CCC(C1)C2CN
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-9-4-5-10(8-15)11(9)6-14/h9-11H,4-8,14H2,1-3H3
InChIKey
YSMVRMWNBGATCE-UHFFFAOYSA-N
Compound name
tert-butyl 8-(aminomethyl)-3-azabicyclo[3.2.1]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 160.3
[M+Na]+ 263.17300 165.1
[M-H]- 239.17650 160.6
[M+NH4]+ 258.21760 179.9
[M+K]+ 279.14694 163.4
[M+H-H2O]+ 223.18104 154.9
[M+HCOO]- 285.18198 175.2
[M+CH3COO]- 299.19763 195.1
[M+Na-2H]- 261.15845 161.9
[M]+ 240.18323 157.8
[M]- 240.18433 157.8
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.