CID 33918

Quaternium-14 ion

Structural Information

Molecular Formula

C₂₃H₄₂N

SMILES

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

InChI

InChI=1S/C23H42N/c1-5-7-8-9-10-11-12-13-14-15-20-24(3,4)21-23-18-16-22(6-2)17-19-23/h16-19H,5-15,20-21H2,1-4H3/q+1

InChIKey

KXLOQZDPPMUHLF-UHFFFAOYSA-N

Compound name

dodecyl-[(4-ethylphenyl)methyl]-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2457
Patents: 332.33173 Da
Monoisotopic Mass: 8.2
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]+	333.339006	191.1
[M+Na]+	355.320948	193.4
[M-H]-	331.324454	194.2
[M+NH4]+	350.365553	205.8
[M+K]+	371.294888	183.5
[M+H-H2O]+	315.328990	185.9
[M+HCOO]-	377.329931	211.4
[M+CH3COO]-	391.345581	216.3
[M+Na-2H]-	353.306396	194.7
[M]+	332.33118142	195.5
[M]-	332.33227858	195.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe