CID 547689

2-amino-4-ethoxybutanoic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CCOCCC(C(=O)O)N

InChI

InChI=1S/C6H13NO3/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)

InChIKey

YCSFMOVBARTLBW-UHFFFAOYSA-N

Compound name

2-amino-4-ethoxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 178
Patents: 147.08954 Da
Monoisotopic Mass: -3.5
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]+	148.09682	132.3
[M+Na]+	170.07876	138.0
[M-H]-	146.08226	130.6
[M+NH4]+	165.12336	152.2
[M+K]+	186.05270	138.1
[M+H-H2O]+	130.08680	127.3
[M+HCOO]-	192.08774	153.9
[M+CH3COO]-	206.10339	175.5
[M+Na-2H]-	168.06421	135.3
[M]+	147.08899	132.1
[M]-	147.09009	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe