CID 24950

Octyltrimethylammonium

Structural Information

Molecular Formula

C₁₁H₂₆N

SMILES

CCCCCCCC[N+](C)(C)C

InChI

InChI=1S/C11H26N/c1-5-6-7-8-9-10-11-12(2,3)4/h5-11H2,1-4H3/q+1

InChIKey

HTKPDYSCAPSXIR-UHFFFAOYSA-N

Compound name

trimethyl(octyl)azanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 34
References: 7046
Patents: 172.20653 Da
Monoisotopic Mass: 4.2
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]+	173.21381	142.5
[M+Na]+	195.19575	147.8
[M-H]-	171.19925	143.9
[M+NH4]+	190.24035	163.8
[M+K]+	211.16969	142.0
[M+H-H2O]+	155.20379	140.5
[M+HCOO]-	217.20473	165.3
[M+CH3COO]-	231.22038	184.0
[M+Na-2H]-	193.18120	150.7
[M]+	172.20598	144.7
[M]-	172.20708	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe