CID 112023

Methyl 3-(dimethylamino)-2-methylpropionate

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CC(CN(C)C)C(=O)OC

InChI

InChI=1S/C7H15NO2/c1-6(5-8(2)3)7(9)10-4/h6H,5H2,1-4H3

InChIKey

DDLJXUCYCFDNCA-UHFFFAOYSA-N

Compound name

methyl 3-(dimethylamino)-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 66
Patents: 145.11028 Da
Monoisotopic Mass: 0.7
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]+	146.117556	132.7
[M+Na]+	168.099498	138.7
[M-H]-	144.103004	134.5
[M+NH4]+	163.144103	154.6
[M+K]+	184.073438	140.9
[M+H-H2O]+	128.107540	127.5
[M+HCOO]-	190.108481	156.4
[M+CH3COO]-	204.124131	182.7
[M+Na-2H]-	166.084946	136.2
[M]+	145.10973142	135.6
[M]-	145.11082858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe