CID 74078946

Tert-butyl 2-bromo-7-azabicyclo[2.2.1]heptane-7-carboxylate

Structural Information

Molecular Formula
C11H18BrNO2
SMILES
CC(C)(C)OC(=O)N1C2CCC1C(C2)Br
InChI
InChI=1S/C11H18BrNO2/c1-11(2,3)15-10(14)13-7-4-5-9(13)8(12)6-7/h7-9H,4-6H2,1-3H3
InChIKey
XAOAXVAFLZHABO-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromo-7-azabicyclo[2.2.1]heptane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.0521 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05938 164.0
[M+Na]+ 298.04132 162.4
[M+NH4]+ 293.08592 167.8
[M+K]+ 314.01526 166.8
[M-H]- 274.04482 161.0
[M+Na-2H]- 296.02677 160.5
[M]+ 275.05155 161.4
[M]- 275.05265 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.