CID 110474

Ethyldimethyltetradecylammonium bromide

Structural Information

Molecular Formula

C₁₈H₄₀N

SMILES

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

InChI

InChI=1S/C18H40N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19(3,4)6-2/h5-18H2,1-4H3/q+1

InChIKey

DELLBLKQOILBPT-UHFFFAOYSA-N

Compound name

ethyl-dimethyl-tetradecylazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 401
Patents: 270.31607 Da
Monoisotopic Mass: 7.3
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]+	271.32335	175.4
[M+Na]+	293.30529	177.8
[M-H]-	269.30879	175.4
[M+NH4]+	288.34989	192.7
[M+K]+	309.27923	170.1
[M+H-H2O]+	253.31333	171.9
[M+HCOO]-	315.31427	195.8
[M+CH3COO]-	329.32992	205.3
[M+Na-2H]-	291.29074	179.8
[M]+	270.31552	180.2
[M]-	270.31662	180.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe