CID 106638

68123-07-9

Structural Information

Molecular Formula

C₁₉H₄₂NO

SMILES

CCCCCCCCCCCCCOCCC[N+](C)(C)C

InChI

InChI=1S/C19H42NO/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20(2,3)4/h5-19H2,1-4H3/q+1

InChIKey

GOGZAKXUQBNLNY-UHFFFAOYSA-N

Compound name

trimethyl(3-tridecoxypropyl)azanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 300.32663 Da
Monoisotopic Mass: 6.6
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]+	301.333906	183.6
[M+Na]+	323.315848	185.5
[M-H]-	299.319354	183.4
[M+NH4]+	318.360453	199.6
[M+K]+	339.289788	177.9
[M+H-H2O]+	283.323890	179.6
[M+HCOO]-	345.324831	203.9
[M+CH3COO]-	359.340481	210.0
[M+Na-2H]-	321.301296	187.5
[M]+	300.32608142	190.2
[M]-	300.32717858	190.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe