CID 36209

Tributylmethylammonium

Structural Information

Molecular Formula

C₁₃H₃₀N

SMILES

CCCC[N+](C)(CCCC)CCCC

InChI

InChI=1S/C13H30N/c1-5-8-11-14(4,12-9-6-2)13-10-7-3/h5-13H2,1-4H3/q+1

InChIKey

HJHUXWBTVVFLQI-UHFFFAOYSA-N

Compound name

tributyl(methyl)azanium

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 41
References: 14234
Patents: 200.23782 Da
Monoisotopic Mass: 4.0
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]+	201.245096	151.9
[M+Na]+	223.227038	156.4
[M-H]-	199.230544	153.0
[M+NH4]+	218.271643	172.2
[M+K]+	239.200978	150.1
[M+H-H2O]+	183.235080	149.5
[M+HCOO]-	245.236021	174.1
[M+CH3COO]-	259.251671	190.1
[M+Na-2H]-	221.212486	159.1
[M]+	200.23727142	154.9
[M]-	200.23836858	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe