CID 130114949

Tert-butyl 3-bromo-1,2,3,6-tetrahydropyridine-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₆BrNO₂

SMILES

CC(C)(C)OC(=O)N1CC=CC(C1)Br

InChI

InChI=1S/C10H16BrNO2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h4-5,8H,6-7H2,1-3H3

InChIKey

KMPZGCZOGMLILR-UHFFFAOYSA-N

Compound name

tert-butyl 3-bromo-3,6-dihydro-2H-pyridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.03644 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]+	262.043716	152.2
[M+Na]+	284.025658	162.0
[M-H]-	260.029164	156.9
[M+NH4]+	279.070263	171.7
[M+K]+	299.999598	152.3
[M+H-H2O]+	244.033700	152.2
[M+HCOO]-	306.034641	168.2
[M+CH3COO]-	320.050291	191.1
[M+Na-2H]-	282.011106	157.8
[M]+	261.03589142	170.1
[M]-	261.03698858	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.