CID 247454

15674-67-6

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCN(CC)CCC(=O)O

InChI

InChI=1S/C7H15NO2/c1-3-8(4-2)6-5-7(9)10/h3-6H2,1-2H3,(H,9,10)

InChIKey

DIOYEFVIHLBWJX-UHFFFAOYSA-N

Compound name

3-(diethylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1100
Patents: 145.11028 Da
Monoisotopic Mass: -1.8
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]+	146.11756	133.1
[M+Na]+	168.09950	138.8
[M-H]-	144.10300	133.3
[M+NH4]+	163.14410	154.2
[M+K]+	184.07344	139.6
[M+H-H2O]+	128.10754	128.0
[M+HCOO]-	190.10848	156.3
[M+CH3COO]-	204.12413	179.7
[M+Na-2H]-	166.08495	137.3
[M]+	145.10973	134.8
[M]-	145.11083	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe