CID 23149669

Tert-butyl 4-aminobicyclo[2.2.2]octane-1-carboxylate

Structural Information

Molecular Formula
C13H23NO2
SMILES
CC(C)(C)OC(=O)C12CCC(CC1)(CC2)N
InChI
InChI=1S/C13H23NO2/c1-11(2,3)16-10(15)12-4-7-13(14,8-5-12)9-6-12/h4-9,14H2,1-3H3
InChIKey
PCFGKTJBVISTMN-UHFFFAOYSA-N
Compound name
tert-butyl 4-aminobicyclo[2.2.2]octane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

225.17288 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.18016 152.9
[M+Na]+ 248.16210 159.7
[M+NH4]+ 243.20670 165.1
[M+K]+ 264.13604 150.7
[M-H]- 224.16560 150.1
[M+Na-2H]- 246.14755 152.6
[M]+ 225.17233 153.2
[M]- 225.17343 153.2
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

patents stripe