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 159.3
[M+Na]+ 248.16210 162.7
[M-H]- 224.16560 154.9
[M+NH4]+ 243.20670 185.1
[M+K]+ 264.13604 160.9
[M+H-H2O]+ 208.17014 155.4
[M+HCOO]- 270.17108 168.0
[M+CH3COO]- 284.18673 195.0
[M+Na-2H]- 246.14755 170.0
[M]+ 225.17233 159.4
[M]- 225.17343 159.4
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