CID 154577310

2418594-27-9

Structural Information

Molecular Formula

C₁₁H₁₈BrNO₂

SMILES

CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C1)CBr

InChI

InChI=1S/C11H18BrNO2/c1-10(2,3)15-9(14)13-5-8-4-11(8,6-12)7-13/h8H,4-7H2,1-3H3/t8-,11-/m1/s1

InChIKey

ATWQFLKWPBSHFF-LDYMZIIASA-N

Compound name

tert-butyl (1S,5S)-1-(bromomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.0521 Da
Monoisotopic Mass: 2.1
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	163.5
[M+Na]+	298.041318	176.5
[M-H]-	274.044824	170.0
[M+NH4]+	293.085923	182.4
[M+K]+	314.015258	165.7
[M+H-H2O]+	258.049360	164.7
[M+HCOO]-	320.050301	179.4
[M+CH3COO]-	334.065951	196.3
[M+Na-2H]-	296.026766	168.8
[M]+	275.05155142	185.3
[M]-	275.05264858	185.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.