CID 20553414

3-[2-(dimethylamino)ethoxy]propanoic acid

Structural Information

Molecular Formula

C₇H₁₅NO₃

SMILES

CN(C)CCOCCC(=O)O

InChI

InChI=1S/C7H15NO3/c1-8(2)4-6-11-5-3-7(9)10/h3-6H2,1-2H3,(H,9,10)

InChIKey

OJAQWKFTOSQYPY-UHFFFAOYSA-N

Compound name

3-[2-(dimethylamino)ethoxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 161.1052 Da
Monoisotopic Mass: -2.7
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]+	162.11248	135.4
[M+Na]+	184.09442	143.4
[M+NH4]+	179.13902	141.8
[M+K]+	200.06836	139.7
[M-H]-	160.09792	133.9
[M+Na-2H]-	182.07987	137.7
[M]+	161.10465	135.6
[M]-	161.10575	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe