CID 16737138

4-bromo-2,3,5-trimethylpyridine 1-oxide

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

CC1=C[N+](=C(C(=C1Br)C)C)[O-]

InChI

InChI=1S/C8H10BrNO/c1-5-4-10(11)7(3)6(2)8(5)9/h4H,1-3H3

InChIKey

XJTFVTIYKKOOCN-UHFFFAOYSA-N

Compound name

4-bromo-2,3,5-trimethyl-1-oxidopyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 214.99458 Da
Monoisotopic Mass: 1.7
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]+	216.00186	141.1
[M+Na]+	237.98380	147.4
[M+NH4]+	233.02840	146.6
[M+K]+	253.95774	148.4
[M-H]-	213.98730	142.7
[M+Na-2H]-	235.96925	144.5
[M]+	214.99403	141.4
[M]-	214.99513	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe