CID 146155414

2416243-47-3

Structural Information

Molecular Formula

C₁₁H₁₈BrNO₂

SMILES

CC1=C(CCN(C1)C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C11H18BrNO2/c1-8-7-13(6-5-9(8)12)10(14)15-11(2,3)4/h5-7H2,1-4H3

InChIKey

KNMBZCCAGBHPAY-UHFFFAOYSA-N

Compound name

tert-butyl 4-bromo-5-methyl-3,6-dihydro-2H-pyridine-1-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	155.9
[M+Na]+	298.041318	166.1
[M-H]-	274.044824	160.7
[M+NH4]+	293.085923	175.2
[M+K]+	314.015258	156.2
[M+H-H2O]+	258.049360	155.9
[M+HCOO]-	320.050301	171.6
[M+CH3COO]-	334.065951	195.0
[M+Na-2H]-	296.026766	160.4
[M]+	275.05155142	174.4
[M]-	275.05264858	174.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.