CID 55285959

2-(2-aminoethoxy)-1,1-dimethoxyethane

Structural Information

Molecular Formula

C₆H₁₅NO₃

SMILES

COC(COCCN)OC

InChI

InChI=1S/C6H15NO3/c1-8-6(9-2)5-10-4-3-7/h6H,3-5,7H2,1-2H3

InChIKey

CBEGMMFTEUNTQO-UHFFFAOYSA-N

Compound name

2-(2,2-dimethoxyethoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 149.1052 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]+	150.112476	132.5
[M+Na]+	172.094418	138.5
[M-H]-	148.097924	132.1
[M+NH4]+	167.139023	153.2
[M+K]+	188.068358	139.7
[M+H-H2O]+	132.102460	127.1
[M+HCOO]-	194.103401	156.4
[M+CH3COO]-	208.119051	178.1
[M+Na-2H]-	170.079866	137.4
[M]+	149.10465142	135.6
[M]-	149.10574858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe