CID 53407612

Methyl 2-(ethylamino)propanoate

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CCNC(C)C(=O)OC

InChI

InChI=1S/C6H13NO2/c1-4-7-5(2)6(8)9-3/h5,7H,4H2,1-3H3

InChIKey

PDWIKEWZWZGBKT-UHFFFAOYSA-N

Compound name

methyl 2-(ethylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 131.09464 Da
Monoisotopic Mass: 0.5
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]+	132.10192	128.6
[M+Na]+	154.08386	134.9
[M-H]-	130.08736	129.1
[M+NH4]+	149.12846	150.4
[M+K]+	170.05780	135.9
[M+H-H2O]+	114.09190	123.8
[M+HCOO]-	176.09284	152.2
[M+CH3COO]-	190.10849	176.0
[M+Na-2H]-	152.06931	133.3
[M]+	131.09409	129.9
[M]-	131.09519	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe