CID 78815

5137-56-4

Structural Information

Molecular Formula

C₃₁H₆₆N

SMILES

CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCCCCCCCCC

InChI

InChI=1S/C31H66N/c1-5-8-11-14-17-20-23-26-29-32(4,30-27-24-21-18-15-12-9-6-2)31-28-25-22-19-16-13-10-7-3/h5-31H2,1-4H3/q+1

InChIKey

NACZPBOVCXPUJN-UHFFFAOYSA-N

Compound name

tris-decyl(methyl)azanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1084
Patents: 452.51953 Da
Monoisotopic Mass: 13.8
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]+	453.52681	252.6
[M+Na]+	475.50875	259.1
[M-H]-	451.51225	236.4
[M+NH4]+	470.55335	249.6
[M+K]+	491.48269	219.6
[M+H-H2O]+	435.51679	227.7
[M+HCOO]-	497.51773	266.5
[M+CH3COO]-	511.53338	243.8
[M+Na-2H]-	473.49420	231.4
[M]+	452.51898	253.3
[M]-	452.52008	253.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe