CID 145913709

Tert-butyl 4-(bromomethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate

Structural Information

Molecular Formula
C11H18BrNO2
SMILES
CC(C)(C)OC(=O)N1CC2(CC1C2)CBr
InChI
InChI=1S/C11H18BrNO2/c1-10(2,3)15-9(14)13-7-11(6-12)4-8(13)5-11/h8H,4-7H2,1-3H3
InChIKey
BESPPGNCFQSIRN-UHFFFAOYSA-N
Compound name
tert-butyl 4-(bromomethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0521 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05938 165.0
[M+Na]+ 298.04132 174.4
[M-H]- 274.04482 167.8
[M+NH4]+ 293.08592 186.5
[M+K]+ 314.01526 168.0
[M+H-H2O]+ 258.04936 164.4
[M+HCOO]- 320.05030 177.8
[M+CH3COO]- 334.06595 198.7
[M+Na-2H]- 296.02677 171.7
[M]+ 275.05155 196.0
[M]- 275.05265 196.0
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.