CID 17910357

3-[ethyl(methyl)amino]propanoic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CCN(C)CCC(=O)O

InChI

InChI=1S/C6H13NO2/c1-3-7(2)5-4-6(8)9/h3-5H2,1-2H3,(H,8,9)

InChIKey

LKLDBSCPCALXOE-UHFFFAOYSA-N

Compound name

3-[ethyl(methyl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 131.09464 Da
Monoisotopic Mass: -2.2
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]+	132.10192	128.4
[M+Na]+	154.08386	134.6
[M-H]-	130.08736	128.8
[M+NH4]+	149.12846	150.1
[M+K]+	170.05780	135.6
[M+H-H2O]+	114.09190	123.5
[M+HCOO]-	176.09284	151.9
[M+CH3COO]-	190.10849	176.7
[M+Na-2H]-	152.06931	133.1
[M]+	131.09409	129.8
[M]-	131.09519	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe