CID 111790

68928-29-0

Structural Information

Molecular Formula

C₂₃H₅₀N

SMILES

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

InChI

InChI=1S/C23H50N/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(4,6-2)7-3/h5-23H2,1-4H3/q+1

InChIKey

DGWLPHZXWGOQMS-UHFFFAOYSA-N

Compound name

diethyl-methyl-octadecylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 340.39432 Da
Monoisotopic Mass: 9.8
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]+	341.40160	198.3
[M+Na]+	363.38354	198.6
[M-H]-	339.38704	197.3
[M+NH4]+	358.42814	212.8
[M+K]+	379.35748	189.5
[M+H-H2O]+	323.39158	193.8
[M+HCOO]-	385.39252	217.0
[M+CH3COO]-	399.40817	220.2
[M+Na-2H]-	361.36899	200.0
[M]+	340.39377	205.0
[M]-	340.39487	205.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe