CID 20152

Allyltriethylammonium iodide

Structural Information

Molecular Formula

C₉H₂₀N

SMILES

CC[N+](CC)(CC)CC=C

InChI

InChI=1S/C9H20N/c1-5-9-10(6-2,7-3)8-4/h5H,1,6-9H2,2-4H3/q+1

InChIKey

WYVYEIXLHVEXCJ-UHFFFAOYSA-N

Compound name

triethyl(prop-2-enyl)azanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 333
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	131.3
[M+Na]+	165.14880	137.7
[M-H]-	141.15230	133.2
[M+NH4]+	160.19340	153.7
[M+K]+	181.12274	131.9
[M+H-H2O]+	125.15684	129.8
[M+HCOO]-	187.15778	155.0
[M+CH3COO]-	201.17343	176.8
[M+Na-2H]-	163.13425	140.7
[M]+	142.15903	132.1
[M]-	142.16013	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe