CID 154814432

2551120-39-7

Structural Information

Molecular Formula

C₁₂H₁₇BrN₂O₂

SMILES

CC(C)(C)OC(=O)C1=CC(=NC=C1N(C)C)Br

InChI

InChI=1S/C12H17BrN2O2/c1-12(2,3)17-11(16)8-6-10(13)14-7-9(8)15(4)5/h6-7H,1-5H3

InChIKey

LHUXPQRNIBBFDM-UHFFFAOYSA-N

Compound name

tert-butyl 2-bromo-5-(dimethylamino)pyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 300.04733 Da
Monoisotopic Mass: 2.8
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]+	301.054606	159.5
[M+Na]+	323.036548	170.2
[M-H]-	299.040054	166.0
[M+NH4]+	318.081153	177.9
[M+K]+	339.010488	160.7
[M+H-H2O]+	283.044590	158.1
[M+HCOO]-	345.045531	178.8
[M+CH3COO]-	359.061181	205.6
[M+Na-2H]-	321.021996	164.9
[M]+	300.04678142	181.4
[M]-	300.04787858	181.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.