CID 23279431

2-methyl-2-(n-methylacetamido)propanoic acid

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

CC(=O)N(C)C(C)(C)C(=O)O

InChI

InChI=1S/C7H13NO3/c1-5(9)8(4)7(2,3)6(10)11/h1-4H3,(H,10,11)

InChIKey

ZUGVBQSJDWCALN-UHFFFAOYSA-N

Compound name

2-[acetyl(methyl)amino]-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 159.08954 Da
Monoisotopic Mass: -0.1
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]+	160.096816	132.9
[M+Na]+	182.078758	139.2
[M-H]-	158.082264	133.6
[M+NH4]+	177.123363	153.5
[M+K]+	198.052698	140.8
[M+H-H2O]+	142.086800	128.6
[M+HCOO]-	204.087741	154.0
[M+CH3COO]-	218.103391	181.4
[M+Na-2H]-	180.064206	136.8
[M]+	159.08899142	134.2
[M]-	159.09008858	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe