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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.059376	165.7
[M+Na]+	298.041318	176.5
[M-H]-	274.044824	170.1
[M+NH4]+	293.085923	189.8
[M+K]+	314.015258	167.0
[M+H-H2O]+	258.049360	167.1
[M+HCOO]-	320.050301	181.0
[M+CH3COO]-	334.065951	194.4
[M+Na-2H]-	296.026766	168.1
[M]+	275.05155142	184.6
[M]-	275.05264858	184.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.