CID 145913709

2377035-68-0

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]+ 276.059376 165.0
[M+Na]+ 298.041318 174.4
[M-H]- 274.044824 167.8
[M+NH4]+ 293.085923 186.5
[M+K]+ 314.015258 168.0
[M+H-H2O]+ 258.049360 164.4
[M+HCOO]- 320.050301 177.8
[M+CH3COO]- 334.065951 198.7
[M+Na-2H]- 296.026766 171.7
[M]+ 275.05155142 196.0
[M]- 275.05264858 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.