CID 3808515

1-propyl-2-methylpyridinium bromide

Structural Information

Molecular Formula

C₉H₁₄N

SMILES

CCC[N+]1=CC=CC=C1C

InChI

InChI=1S/C9H14N/c1-3-7-10-8-5-4-6-9(10)2/h4-6,8H,3,7H2,1-2H3/q+1

InChIKey

ZLDXKKLJACLTIN-UHFFFAOYSA-N

Compound name

2-methyl-1-propylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 136.11263 Da
Monoisotopic Mass: 2.2
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]+	137.11991	126.4
[M+Na]+	159.10185	142.7
[M+NH4]+	154.14645	137.1
[M+K]+	175.07579	135.6
[M-H]-	135.10535	130.9
[M+Na-2H]-	157.08730	135.8
[M]+	136.11208	130.5
[M]-	136.11318	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe