CID 2758810

Ethyl 6-bromopicolinate

Structural Information

Molecular Formula

C₈H₈BrNO₂

SMILES

CCOC(=O)C1=NC(=CC=C1)Br

InChI

InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-4-3-5-7(9)10-6/h3-5H,2H2,1H3

InChIKey

OONBOXSIWCBAHZ-UHFFFAOYSA-N

Compound name

ethyl 6-bromopyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 475
Patents: 228.97385 Da
Monoisotopic Mass: 2.4
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]+	229.981126	137.7
[M+Na]+	251.963068	149.5
[M-H]-	227.966574	142.9
[M+NH4]+	247.007673	158.2
[M+K]+	267.937008	139.6
[M+H-H2O]+	211.971110	137.4
[M+HCOO]-	273.972051	158.5
[M+CH3COO]-	287.987701	185.7
[M+Na-2H]-	249.948516	145.7
[M]+	228.97330142	158.1
[M]-	228.97439858	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe