CID 61350840

1249826-70-7

Structural Information

Molecular Formula

C₇H₁₈N₂O₂

SMILES

CN(CCN)CCOCCO

InChI

InChI=1S/C7H18N2O2/c1-9(3-2-8)4-6-11-7-5-10/h10H,2-8H2,1H3

InChIKey

BTCKKHFSYWVSHA-UHFFFAOYSA-N

Compound name

2-[2-[2-aminoethyl(methyl)amino]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 162.13683 Da
Monoisotopic Mass: -1.5
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]+	163.144106	137.8
[M+Na]+	185.126048	142.6
[M-H]-	161.129554	137.2
[M+NH4]+	180.170653	157.7
[M+K]+	201.099988	143.0
[M+H-H2O]+	145.134090	131.9
[M+HCOO]-	207.135031	162.1
[M+CH3COO]-	221.150681	184.1
[M+Na-2H]-	183.111496	142.4
[M]+	162.13628142	139.0
[M]-	162.13737858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe