CID 41756

2-((1-methyltridecyl)amino)ethanol hydrochloride

Structural Information

Molecular Formula

C₁₆H₃₅NO

SMILES

CCCCCCCCCCCCC(C)NCCO

InChI

InChI=1S/C16H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)17-14-15-18/h16-18H,3-15H2,1-2H3

InChIKey

YLSHPGPYXAQLSR-UHFFFAOYSA-N

Compound name

2-(tetradecan-2-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 257.27185 Da
Monoisotopic Mass: 5.7
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]+	258.279126	172.7
[M+Na]+	280.261068	174.1
[M-H]-	256.264574	169.6
[M+NH4]+	275.305673	188.7
[M+K]+	296.235008	171.2
[M+H-H2O]+	240.269110	166.0
[M+HCOO]-	302.270051	191.8
[M+CH3COO]-	316.285701	202.3
[M+Na-2H]-	278.246516	172.7
[M]+	257.27130142	175.7
[M]-	257.27239858	175.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe