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 165.7
[M+Na]+ 298.04132 176.5
[M-H]- 274.04482 170.1
[M+NH4]+ 293.08592 189.8
[M+K]+ 314.01526 167.0
[M+H-H2O]+ 258.04936 167.1
[M+HCOO]- 320.05030 181.0
[M+CH3COO]- 334.06595 194.4
[M+Na-2H]- 296.02677 168.1
[M]+ 275.05155 184.6
[M]- 275.05265 184.6
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.