CID 12942137

Tetradecyldiethanolamine

Structural Information

Molecular Formula

C₁₈H₃₉NO₂

SMILES

CCCCCCCCCCCCCCN(CCO)CCO

InChI

InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(15-17-20)16-18-21/h20-21H,2-18H2,1H3

InChIKey

CPHJEACXPATRSU-UHFFFAOYSA-N

Compound name

2-[2-hydroxyethyl(tetradecyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1015
Patents: 301.29807 Da
Monoisotopic Mass: 5.6
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]+	302.305346	184.2
[M+Na]+	324.287288	184.7
[M-H]-	300.290794	180.7
[M+NH4]+	319.331893	198.4
[M+K]+	340.261228	181.9
[M+H-H2O]+	284.295330	176.9
[M+HCOO]-	346.296271	202.9
[M+CH3COO]-	360.311921	210.2
[M+Na-2H]-	322.272736	183.2
[M]+	301.29752142	189.5
[M]-	301.29861858	189.5

Literature stripe

literature stripe

Patent stripe

patents stripe