CID 78873

Benzylethyldimethylammonium chloride

Structural Information

Molecular Formula

C₁₁H₁₈N

SMILES

CC[N+](C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C11H18N/c1-4-12(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3/q+1

InChIKey

ODRZUUBZEIXMOS-UHFFFAOYSA-N

Compound name

benzyl-ethyl-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2971
Patents: 164.14392 Da
Monoisotopic Mass: 2.1
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]+	165.15120	134.9
[M+Na]+	187.13314	141.4
[M-H]-	163.13664	140.0
[M+NH4]+	182.17774	156.2
[M+K]+	203.10708	134.8
[M+H-H2O]+	147.14118	132.1
[M+HCOO]-	209.14212	159.4
[M+CH3COO]-	223.15777	178.9
[M+Na-2H]-	185.11859	145.8
[M]+	164.14337	134.6
[M]-	164.14447	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe