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 158.9
[M+Na]+ 263.17300 161.5
[M+NH4]+ 258.21760 164.3
[M+K]+ 279.14694 156.8
[M-H]- 239.17650 152.9
[M+Na-2H]- 261.15845 154.6
[M]+ 240.18323 156.3
[M]- 240.18433 156.3
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.