CID 43216361

Methyl 4-(ethylamino)butanoate hydrochloride

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCNCCCC(=O)OC

InChI

InChI=1S/C7H15NO2/c1-3-8-6-4-5-7(9)10-2/h8H,3-6H2,1-2H3

InChIKey

PEOHFFPBAXUCQI-UHFFFAOYSA-N

Compound name

methyl 4-(ethylamino)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 145.11028 Da
Monoisotopic Mass: 0.3
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	132.3
[M+Na]+	168.09950	141.2
[M+NH4]+	163.14410	139.5
[M+K]+	184.07344	136.2
[M-H]-	144.10300	131.7
[M+Na-2H]-	166.08495	135.5
[M]+	145.10973	133.0
[M]-	145.11083	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe