CID 12414198

Methyl 3-(methylamino)propanoate

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CNCCC(=O)OC

InChI

InChI=1S/C5H11NO2/c1-6-4-3-5(7)8-2/h6H,3-4H2,1-2H3

InChIKey

NGNUXOCKVMKGQL-UHFFFAOYSA-N

Compound name

methyl 3-(methylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 380
Patents: 117.07898 Da
Monoisotopic Mass: -0.4
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]+	118.08626	123.5
[M+Na]+	140.06820	130.4
[M-H]-	116.07170	124.0
[M+NH4]+	135.11280	145.9
[M+K]+	156.04214	131.2
[M+H-H2O]+	100.07624	118.7
[M+HCOO]-	162.07718	148.3
[M+CH3COO]-	176.09283	172.1
[M+Na-2H]-	138.05365	130.0
[M]+	117.07843	125.0
[M]-	117.07953	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe