CID 126970867

1622840-55-4

Structural Information

Molecular Formula

C₁₀H₁₆BrNO₂

SMILES

CC(C)(C)OC(=O)N1CCCC(=C1)Br

InChI

InChI=1S/C10H16BrNO2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h7H,4-6H2,1-3H3

InChIKey

IMDIJYNDIARCKQ-UHFFFAOYSA-N

Compound name

tert-butyl 5-bromo-3,4-dihydro-2H-pyridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.03644 Da
Monoisotopic Mass: 2.3
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]+	262.04372	150.4
[M+Na]+	284.02566	151.7
[M+NH4]+	279.07026	154.1
[M+K]+	299.99960	153.1
[M-H]-	260.02916	149.1
[M+Na-2H]-	282.01111	151.8
[M]+	261.03589	148.9
[M]-	261.03699	148.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.