CID 204882

1,3-propanediol, 2-(n-ethyl-n-tetradecylamino)-2-methyl-, hydrochloride

Structural Information

Molecular Formula

C₂₀H₄₃NO₂

SMILES

CCCCCCCCCCCCCCN(CC)C(C)(CO)CO

InChI

InChI=1S/C20H43NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21(5-2)20(3,18-22)19-23/h22-23H,4-19H2,1-3H3

InChIKey

IDRJLCDTCKAKHQ-UHFFFAOYSA-N

Compound name

2-[ethyl(tetradecyl)amino]-2-methylpropane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 329.32938 Da
Monoisotopic Mass: 6.2
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]+	330.336656	193.3
[M+Na]+	352.318598	193.5
[M-H]-	328.322104	189.8
[M+NH4]+	347.363203	206.6
[M+K]+	368.292538	190.6
[M+H-H2O]+	312.326640	186.4
[M+HCOO]-	374.327581	209.9
[M+CH3COO]-	388.343231	216.6
[M+Na-2H]-	350.304046	192.2
[M]+	329.32883142	198.9
[M]-	329.32992858	198.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe