CID 3634933

1-propyl-3-methylpyridinium bromide

Structural Information

Molecular Formula

C₉H₁₄N

SMILES

CCC[N+]1=CC=CC(=C1)C

InChI

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

InChIKey

OBBLBTCBHPSIMJ-UHFFFAOYSA-N

Compound name

3-methyl-1-propylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 896
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]+	137.119906	128.5
[M+Na]+	159.101848	137.0
[M-H]-	135.105354	131.4
[M+NH4]+	154.146453	149.3
[M+K]+	175.075788	129.9
[M+H-H2O]+	119.109890	125.3
[M+HCOO]-	181.110831	151.6
[M+CH3COO]-	195.126481	168.8
[M+Na-2H]-	157.087296	138.5
[M]+	136.11208142	128.2
[M]-	136.11317858	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe