CID 132327979

Tert-butyl 3-(2-bromoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

Structural Information

Molecular Formula
C14H24BrNO2
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(C2)CCBr
InChI
InChI=1S/C14H24BrNO2/c1-14(2,3)18-13(17)16-11-4-5-12(16)9-10(8-11)6-7-15/h10-12H,4-9H2,1-3H3
InChIKey
DJFWQKOYVNYAAL-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-bromoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.09903 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10631 176.1
[M+Na]+ 340.08825 184.6
[M-H]- 316.09175 179.4
[M+NH4]+ 335.13285 196.7
[M+K]+ 356.06219 174.1
[M+H-H2O]+ 300.09629 176.5
[M+HCOO]- 362.09723 188.2
[M+CH3COO]- 376.11288 202.8
[M+Na-2H]- 338.07370 178.2
[M]+ 317.09848 194.0
[M]- 317.09958 194.0
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.