CID 72212511

1196145-86-4

Structural Information

Molecular Formula

C₉H₁₀BrNO₂

SMILES

CCOC(=O)C1=C(N=C(C=C1)Br)C

InChI

InChI=1S/C9H10BrNO2/c1-3-13-9(12)7-4-5-8(10)11-6(7)2/h4-5H,3H2,1-2H3

InChIKey

LKSLXVLEXKSTEI-UHFFFAOYSA-N

Compound name

ethyl 6-bromo-2-methylpyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 242.98949 Da
Monoisotopic Mass: 2.5
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]+	243.99677	141.6
[M+Na]+	265.97871	153.9
[M-H]-	241.98221	147.0
[M+NH4]+	261.02331	161.9
[M+K]+	281.95265	143.7
[M+H-H2O]+	225.98675	141.2
[M+HCOO]-	287.98769	162.1
[M+CH3COO]-	302.00334	189.6
[M+Na-2H]-	263.96416	148.4
[M]+	242.98894	162.7
[M]-	242.99004	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe