CID 155943558

Tert-butyl 1-(2-aminoethyl)-2-azabicyclo[3.1.1]heptane-2-carboxylate

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2CC1(C2)CCN
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-7-4-10-8-13(15,9-10)5-6-14/h10H,4-9,14H2,1-3H3
InChIKey
LOPMTQSDJDFWTI-UHFFFAOYSA-N
Compound name
tert-butyl 1-(2-aminoethyl)-2-azabicyclo[3.1.1]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 175.2
[M+Na]+ 263.17300 178.0
[M-H]- 239.17650 171.7
[M+NH4]+ 258.21760 190.7
[M+K]+ 279.14694 179.8
[M+H-H2O]+ 223.18104 165.7
[M+HCOO]- 285.18198 184.2
[M+CH3COO]- 299.19763 201.2
[M+Na-2H]- 261.15845 182.2
[M]+ 240.18323 186.0
[M]- 240.18433 186.0
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.