CID 16726631

1-methyl-1-propylpiperidinium bromide

Structural Information

Molecular Formula

C₉H₂₀N

SMILES

CCC[N+]1(CCCCC1)C

InChI

InChI=1S/C9H20N/c1-3-7-10(2)8-5-4-6-9-10/h3-9H2,1-2H3/q+1

InChIKey

OGLIVJFAKNJZRE-UHFFFAOYSA-N

Compound name

1-methyl-1-propylpiperidin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3660
Patents: 142.15958 Da
Monoisotopic Mass: 2.0
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]+	143.16686	131.8
[M+Na]+	165.14880	136.9
[M-H]-	141.15230	133.5
[M+NH4]+	160.19340	153.9
[M+K]+	181.12274	130.6
[M+H-H2O]+	125.15684	129.0
[M+HCOO]-	187.15778	150.4
[M+CH3COO]-	201.17343	168.4
[M+Na-2H]-	163.13425	140.4
[M]+	142.15903	126.5
[M]-	142.16013	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe