CID 24953

10108-91-5

Structural Information

Molecular Formula

C₃₀H₆₄N

SMILES

CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC

InChI

InChI=1S/C30H64N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-30H2,1-4H3/q+1

InChIKey

CJBMLKNLJXFFGD-UHFFFAOYSA-N

Compound name

dimethyl-di(tetradecyl)azanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 3333
Patents: 438.50388 Da
Monoisotopic Mass: 13.6
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]+	439.51116	229.4
[M+Na]+	461.49310	255.6
[M-H]-	437.49660	233.1
[M+NH4]+	456.53770	246.0
[M+K]+	477.46704	215.9
[M+H-H2O]+	421.50114	223.5
[M+HCOO]-	483.50208	263.2
[M+CH3COO]-	497.51773	240.9
[M+Na-2H]-	459.47855	227.5
[M]+	438.50333	249.8
[M]-	438.50443	249.8

Literature stripe

literature stripe

Patent stripe

patents stripe