CID 41760

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

Structural Information

Molecular Formula

C₁₆H₃₅NO₂

SMILES

CCCCCCCCCCC(C)N(CCO)CCO

InChI

InChI=1S/C16H35NO2/c1-3-4-5-6-7-8-9-10-11-16(2)17(12-14-18)13-15-19/h16,18-19H,3-15H2,1-2H3

InChIKey

AFRNHSOIUDXPRQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 273.26678 Da
Monoisotopic Mass: 4.4
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]+	274.274056	176.4
[M+Na]+	296.255998	177.6
[M-H]-	272.259504	173.4
[M+NH4]+	291.300603	191.7
[M+K]+	312.229938	175.7
[M+H-H2O]+	256.264040	169.6
[M+HCOO]-	318.264981	194.9
[M+CH3COO]-	332.280631	205.1
[M+Na-2H]-	294.241446	175.2
[M]+	273.26623142	180.3
[M]-	273.26732858	180.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe