CID 12086783

91826-96-9

Structural Information

Molecular Formula

C₆H₁₁NO₄

SMILES

CC(C)(C(=O)O)NC(=O)OC

InChI

InChI=1S/C6H11NO4/c1-6(2,4(8)9)7-5(10)11-3/h1-3H3,(H,7,10)(H,8,9)

InChIKey

GQSBWCLCEYQKPE-UHFFFAOYSA-N

Compound name

2-(methoxycarbonylamino)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 191
Patents: 161.0688 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]+	162.07608	133.3
[M+Na]+	184.05802	140.2
[M+NH4]+	179.10262	138.4
[M+K]+	200.03196	138.8
[M-H]-	160.06152	129.9
[M+Na-2H]-	182.04347	134.5
[M]+	161.06825	132.7
[M]-	161.06935	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe