CID 41766

2,2'-((1-methyltridecyl)imino)bisethanol hydrochloride

Structural Information

Molecular Formula

C₁₈H₃₉NO₂

SMILES

CCCCCCCCCCCCC(C)N(CCO)CCO

InChI

InChI=1S/C18H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-18(2)19(14-16-20)15-17-21/h18,20-21H,3-17H2,1-2H3

InChIKey

VIGPKMHSXLRLJO-UHFFFAOYSA-N

Compound name

2-[2-hydroxyethyl(tetradecan-2-yl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 301.29807 Da
Monoisotopic Mass: 5.5
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	185.3
[M+Na]+	324.287288	185.7
[M-H]-	300.290794	181.9
[M+NH4]+	319.331893	199.5
[M+K]+	340.261228	183.3
[M+H-H2O]+	284.295330	178.2
[M+HCOO]-	346.296271	203.1
[M+CH3COO]-	360.311921	211.0
[M+Na-2H]-	322.272736	183.1
[M]+	301.29752142	190.0
[M]-	301.29861858	190.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe