CID 20566006

16345-80-5

Structural Information

Molecular Formula

C₂₄H₄₄N

SMILES

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

InChI

InChI=1S/C24H44N/c1-4-6-8-10-12-17-21-25(3,22-18-13-11-9-7-5-2)23-24-19-15-14-16-20-24/h14-16,19-20H,4-13,17-18,21-23H2,1-3H3/q+1

InChIKey

GYLOAECYLJGUMM-UHFFFAOYSA-N

Compound name

benzyl-methyl-dioctylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 346.34738 Da
Monoisotopic Mass: 8.6
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]+	347.354656	196.3
[M+Na]+	369.336598	197.2
[M-H]-	345.340104	198.8
[M+NH4]+	364.381203	210.1
[M+K]+	385.310538	187.1
[M+H-H2O]+	329.344640	190.6
[M+HCOO]-	391.345581	216.2
[M+CH3COO]-	405.361231	218.3
[M+Na-2H]-	367.322046	199.9
[M]+	346.34683142	200.7
[M]-	346.34792858	200.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe