CID 115741294

2228365-04-4

Structural Information

Molecular Formula

C₉H₁₉NO₃

SMILES

CN(CCCCOC)CCC(=O)O

InChI

InChI=1S/C9H19NO3/c1-10(7-5-9(11)12)6-3-4-8-13-2/h3-8H2,1-2H3,(H,11,12)

InChIKey

ICAXZHRPIBMYQX-UHFFFAOYSA-N

Compound name

3-[4-methoxybutyl(methyl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.13649 Da
Monoisotopic Mass: -2.0
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]+	190.14377	144.2
[M+Na]+	212.12571	151.7
[M+NH4]+	207.17031	150.3
[M+K]+	228.09965	147.6
[M-H]-	188.12921	142.6
[M+Na-2H]-	210.11116	145.9
[M]+	189.13594	144.3
[M]-	189.13704	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.