CID 79006608

3-acetamido-2,2-dimethylpropanoic acid

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

CC(=O)NCC(C)(C)C(=O)O

InChI

InChI=1S/C7H13NO3/c1-5(9)8-4-7(2,3)6(10)11/h4H2,1-3H3,(H,8,9)(H,10,11)

InChIKey

MUGGYLDPNUJPRL-UHFFFAOYSA-N

Compound name

3-acetamido-2,2-dimethylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 159.08954 Da
Monoisotopic Mass: 0.0
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]+	160.09682	134.8
[M+Na]+	182.07876	142.1
[M+NH4]+	177.12336	140.4
[M+K]+	198.05270	139.9
[M-H]-	158.08226	132.0
[M+Na-2H]-	180.06421	136.3
[M]+	159.08899	134.6
[M]-	159.09009	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe