CID 50999075

273207-53-7

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C2)CN
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-10-4-5-11(15)7-9(6-10)8-14/h9-11H,4-8,14H2,1-3H3/t9?,10-,11+
InChIKey
JYURWVQSNWVJSV-FGWVZKOKSA-N
Compound name
tert-butyl (1S,5R)-3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

240.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.191056 160.3
[M+Na]+ 263.172998 165.1
[M-H]- 239.176504 160.6
[M+NH4]+ 258.217603 179.9
[M+K]+ 279.146938 163.4
[M+H-H2O]+ 223.181040 154.9
[M+HCOO]- 285.181981 175.2
[M+CH3COO]- 299.197631 195.1
[M+Na-2H]- 261.158446 161.9
[M]+ 240.18323142 157.8
[M]- 240.18432858 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.