CID 155978112

Tert-butyl 4-(2-aminoethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CC2(CCC1C2)CCN
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-13(6-7-14)5-4-10(15)8-13/h10H,4-9,14H2,1-3H3
InChIKey
UHCQKLCKWOMJMD-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-aminoethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 161.1
[M+Na]+ 263.17300 166.8
[M-H]- 239.17650 161.8
[M+NH4]+ 258.21760 184.2
[M+K]+ 279.14694 165.2
[M+H-H2O]+ 223.18104 156.7
[M+HCOO]- 285.18198 178.2
[M+CH3COO]- 299.19763 193.3
[M+Na-2H]- 261.15845 163.4
[M]+ 240.18323 160.7
[M]- 240.18433 160.7
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.