CID 132327733

2126143-38-0

Structural Information

Molecular Formula

C₁₀H₁₆BrNO₂

SMILES

CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2Br

InChI

InChI=1S/C10H16BrNO2/c1-10(2,3)14-9(13)12-4-6-7(5-12)8(6)11/h6-8H,4-5H2,1-3H3/t6-,7+,8?

InChIKey

DJOQQTFAEPYOSQ-DHBOJHSNSA-N

Compound name

tert-butyl (1R,5S)-6-bromo-3-azabicyclo[3.1.0]hexane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.03644 Da
Monoisotopic Mass: 2.0
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]+	262.043716	159.8
[M+Na]+	284.025658	173.3
[M-H]-	260.029164	166.5
[M+NH4]+	279.070263	177.7
[M+K]+	299.999598	161.9
[M+H-H2O]+	244.033700	160.1
[M+HCOO]-	306.034641	176.2
[M+CH3COO]-	320.050291	195.1
[M+Na-2H]-	282.011106	163.9
[M]+	261.03589142	181.1
[M]-	261.03698858	181.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.