CID 81569

N,n-dimethylglycine methyl ester

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CN(C)CC(=O)OC

InChI

InChI=1S/C5H11NO2/c1-6(2)4-5(7)8-3/h4H2,1-3H3

InChIKey

LRZFEBJUJIQVDQ-UHFFFAOYSA-N

Compound name

methyl 2-(dimethylamino)acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 637
Patents: 117.07898 Da
Monoisotopic Mass: 0.2
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]+	118.086256	123.0
[M+Na]+	140.068198	130.1
[M-H]-	116.071704	125.1
[M+NH4]+	135.112803	146.1
[M+K]+	156.042138	132.3
[M+H-H2O]+	100.076240	118.2
[M+HCOO]-	162.077181	148.4
[M+CH3COO]-	176.092831	175.7
[M+Na-2H]-	138.053646	128.9
[M]+	117.07843142	125.9
[M]-	117.07952858	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe