CID 61506

10361-16-7

Structural Information

Molecular Formula

C₂₂H₄₈N

SMILES

CCCCCCCCCCCC[N+](C)(C)CCCCCCCC

InChI

InChI=1S/C22H48N/c1-5-7-9-11-13-14-15-16-18-20-22-23(3,4)21-19-17-12-10-8-6-2/h5-22H2,1-4H3/q+1

InChIKey

WIBQZDXLMHDYMQ-UHFFFAOYSA-N

Compound name

dodecyl-dimethyl-octylazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 903
Patents: 326.37866 Da
Monoisotopic Mass: 9.3
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]+	327.38594	191.0
[M+Na]+	349.36788	200.7
[M+NH4]+	344.41248	198.8
[M+K]+	365.34182	191.5
[M-H]-	325.37138	193.2
[M+Na-2H]-	347.35333	193.5
[M]+	326.37811	193.4
[M]-	326.37921	193.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe