CID 11679835

26387-74-6

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

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

InChI

InChI=1S/C6H11NO3/c1-7(2)5(8)4-6(9)10-3/h4H2,1-3H3

InChIKey

GSROVVPYJBMJMI-UHFFFAOYSA-N

Compound name

methyl 3-(dimethylamino)-3-oxopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 145.0739 Da
Monoisotopic Mass: -0.3
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]+	146.081176	129.2
[M+Na]+	168.063118	136.0
[M-H]-	144.066624	131.2
[M+NH4]+	163.107723	151.0
[M+K]+	184.037058	138.3
[M+H-H2O]+	128.071160	124.1
[M+HCOO]-	190.072101	153.7
[M+CH3COO]-	204.087751	180.0
[M+Na-2H]-	166.048566	133.3
[M]+	145.07335142	132.5
[M]-	145.07444858	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe