CID 95875

6338-55-2

Structural Information

Molecular Formula

C₆H₁₅NO₃

SMILES

C(COCCOCCO)N

InChI

InChI=1S/C6H15NO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-7H2

InChIKey

ASDQMECUMYIVBG-UHFFFAOYSA-N

Compound name

2-[2-(2-aminoethoxy)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2399
Patents: 149.1052 Da
Monoisotopic Mass: -1.8
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]+	150.11248	131.2
[M+Na]+	172.09442	139.1
[M+NH4]+	167.13902	137.8
[M+K]+	188.06836	134.8
[M-H]-	148.09792	129.7
[M+Na-2H]-	170.07987	133.5
[M]+	149.10465	131.4
[M]-	149.10575	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe