CID 54391332

3-[2-(methylamino)ethoxy]propan-1-ol

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

CNCCOCCCO

InChI

InChI=1S/C6H15NO2/c1-7-3-6-9-5-2-4-8/h7-8H,2-6H2,1H3

InChIKey

SKVMFPJTLMIOOM-UHFFFAOYSA-N

Compound name

3-[2-(methylamino)ethoxy]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
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	129.2
[M+Na]+	156.099498	135.1
[M-H]-	132.103004	127.9
[M+NH4]+	151.144103	150.3
[M+K]+	172.073438	134.8
[M+H-H2O]+	116.107540	124.3
[M+HCOO]-	178.108481	153.0
[M+CH3COO]-	192.124131	173.3
[M+Na-2H]-	154.084946	136.0
[M]+	133.10973142	130.7
[M]-	133.11082858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe