CID 15514970

85475-01-0

Structural Information

Molecular Formula

C₅H₁₃NO₂

SMILES

CNCCOCCO

InChI

InChI=1S/C5H13NO2/c1-6-2-4-8-5-3-7/h6-7H,2-5H2,1H3

InChIKey

IPKWSCDDLHLVMC-UHFFFAOYSA-N

Compound name

2-[2-(methylamino)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 628
Patents: 119.09463 Da
Monoisotopic Mass: -1.0
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]+	120.101906	124.7
[M+Na]+	142.083848	130.9
[M-H]-	118.087354	123.5
[M+NH4]+	137.128453	146.3
[M+K]+	158.057788	130.9
[M+H-H2O]+	102.091890	119.9
[M+HCOO]-	164.092831	148.7
[M+CH3COO]-	178.108481	170.2
[M+Na-2H]-	140.069296	131.9
[M]+	119.09408142	125.7
[M]-	119.09517858	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe