CID 199226

Methyl 3-(dimethylamino)propanoate

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CN(C)CCC(=O)OC

InChI

InChI=1S/C6H13NO2/c1-7(2)5-4-6(8)9-3/h4-5H2,1-3H3

InChIKey

VSFJOMFYABROHQ-UHFFFAOYSA-N

Compound name

methyl 3-(dimethylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 320
Patents: 131.09464 Da
Monoisotopic Mass: 0.1
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	127.8
[M+Na]+	154.08386	134.5
[M-H]-	130.08736	129.7
[M+NH4]+	149.12846	150.3
[M+K]+	170.05780	136.4
[M+H-H2O]+	114.09190	122.7
[M+HCOO]-	176.09284	152.8
[M+CH3COO]-	190.10849	178.7
[M+Na-2H]-	152.06931	133.1
[M]+	131.09409	131.0
[M]-	131.09519	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe