CID 4118964

Cyclohexyltriethylammonium iodide

Structural Information

Molecular Formula

C₁₂H₂₆N

SMILES

CC[N+](CC)(CC)C1CCCCC1

InChI

InChI=1S/C12H26N/c1-4-13(5-2,6-3)12-10-8-7-9-11-12/h12H,4-11H2,1-3H3/q+1

InChIKey

BDMOUAQPRGTJKW-UHFFFAOYSA-N

Compound name

cyclohexyl(triethyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 229
Patents: 184.20653 Da
Monoisotopic Mass: 3.2
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]+	185.21381	144.4
[M+Na]+	207.19575	147.4
[M-H]-	183.19925	148.2
[M+NH4]+	202.24035	164.6
[M+K]+	223.16969	141.1
[M+H-H2O]+	167.20379	141.4
[M+HCOO]-	229.20473	164.1
[M+CH3COO]-	243.22038	183.1
[M+Na-2H]-	205.18120	151.8
[M]+	184.20598	140.1
[M]-	184.20708	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe