CID 108574

54303-31-0

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

COCCOCCCN

InChI

InChI=1S/C6H15NO2/c1-8-5-6-9-4-2-3-7/h2-7H2,1H3

InChIKey

PWGVOCGNHYMDLS-UHFFFAOYSA-N

Compound name

3-(2-methoxyethoxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1357
Patents: 133.11028 Da
Monoisotopic Mass: -0.7
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]+	134.117556	129.0
[M+Na]+	156.099498	135.3
[M-H]-	132.103004	128.6
[M+NH4]+	151.144103	150.5
[M+K]+	172.073438	135.6
[M+H-H2O]+	116.107540	123.8
[M+HCOO]-	178.108481	153.6
[M+CH3COO]-	192.124131	175.3
[M+Na-2H]-	154.084946	135.2
[M]+	133.10973142	131.3
[M]-	133.11082858	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe