CID 3019074

82711-88-4

Structural Information

Molecular Formula

C₁₉H₄₂NO

SMILES

CCCCCCCCCCCCCCC(C[N+](C)(C)C)O

InChI

InChI=1S/C19H42NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(2,3)4/h19,21H,5-18H2,1-4H3/q+1

InChIKey

OCJOIFHALFZTMB-UHFFFAOYSA-N

Compound name

2-hydroxyhexadecyl(trimethyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 300.32663 Da
Monoisotopic Mass: 6.9
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	183.8
[M+Na]+	323.315848	185.1
[M-H]-	299.319354	182.3
[M+NH4]+	318.360453	199.1
[M+K]+	339.289788	177.1
[M+H-H2O]+	283.323890	180.3
[M+HCOO]-	345.324831	201.7
[M+CH3COO]-	359.340481	207.8
[M+Na-2H]-	321.301296	186.1
[M]+	300.32608142	187.8
[M]-	300.32717858	187.8

Literature stripe

literature stripe

Patent stripe

patents stripe