CID 428867

Sec-octyltrimethylammonium iodide

Structural Information

Molecular Formula

C₁₁H₂₆N

SMILES

CCCCCCC(C)[N+](C)(C)C

InChI

InChI=1S/C11H26N/c1-6-7-8-9-10-11(2)12(3,4)5/h11H,6-10H2,1-5H3/q+1

InChIKey

PFTCZVOTBZHHCK-UHFFFAOYSA-N

Compound name

trimethyl(octan-2-yl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 172.20653 Da
Monoisotopic Mass: 3.6
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	142.3
[M+Na]+	195.19575	147.4
[M-H]-	171.19925	143.8
[M+NH4]+	190.24035	163.6
[M+K]+	211.16969	142.1
[M+H-H2O]+	155.20379	140.4
[M+HCOO]-	217.20473	164.1
[M+CH3COO]-	231.22038	184.7
[M+Na-2H]-	193.18120	149.3
[M]+	172.20598	143.8
[M]-	172.20708	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe