CID 9808013

138698-36-9

Structural Information

Molecular Formula

C₂₁H₄₆N

SMILES

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

InChI

InChI=1S/C21H46N/c1-6-7-8-9-10-11-13-16-19-22(4,5)20-17-14-12-15-18-21(2)3/h21H,6-20H2,1-5H3/q+1

InChIKey

KVFJJYLZPBXHHK-UHFFFAOYSA-N

Compound name

decyl-dimethyl-(7-methyloctyl)azanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 349
Patents: 312.36304 Da
Monoisotopic Mass: 8.5
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]+	313.37032	189.4
[M+Na]+	335.35226	190.4
[M-H]-	311.35576	189.0
[M+NH4]+	330.39686	205.0
[M+K]+	351.32620	182.3
[M+H-H2O]+	295.36030	185.5
[M+HCOO]-	357.36124	207.9
[M+CH3COO]-	371.37689	214.9
[M+Na-2H]-	333.33771	191.0
[M]+	312.36249	194.7
[M]-	312.36359	194.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe