PubChemLite - Tetraoctadecylammonium bromide (C72H148N)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C72H148N/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3/q+1

InChIKey

KNANANSBRPCBAH-UHFFFAOYSA-N

Compound name

tetraoctadecylazanium

Related CIDs

2D Structure

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]+	1028.1684	379.9
[M+Na]+	1050.1503	378.9
[M-H]-	1026.1538	348.9
[M+NH4]+	1045.1949	376.4
[M+K]+	1066.1243	393.8
[M+H-H2O]+	1010.1584	368.4
[M+HCOO]-	1072.1593	379.5
[M+CH3COO]-	1086.1750	350.7
[M+Na-2H]-	1048.1358	348.6
[M]+	1027.1606	378.9
[M]-	1027.1616	378.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1028.1684

379.9

[M+Na]+

1050.1503

378.9

[M-H]-

1026.1538

348.9

[M+NH4]+

1045.1949

376.4

[M+K]+

1066.1243

393.8

[M+H-H2O]+

1010.1584

368.4

[M+HCOO]-

1072.1593

379.5

[M+CH3COO]-

1086.1750

350.7

[M+Na-2H]-

1048.1358

348.6

[M]+

1027.1606

378.9

[M]-

1027.1616

378.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Tetraoctadecylammonium bromide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe