CID 10376046

129765-95-3

Structural Information

Molecular Formula

C₁₀H₁₉NO₄

SMILES

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

InChI

InChI=1S/C10H19NO4/c1-9(2,3)15-8(14)11-10(4,5)6-7(12)13/h6H2,1-5H3,(H,11,14)(H,12,13)

InChIKey

LHJVMOIOTPJSLS-UHFFFAOYSA-N

Compound name

3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 603
Patents: 217.13141 Da
Monoisotopic Mass: 1.0
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]+	218.138686	149.5
[M+Na]+	240.120628	154.9
[M-H]-	216.124134	148.5
[M+NH4]+	235.165233	167.3
[M+K]+	256.094568	155.3
[M+H-H2O]+	200.128670	145.3
[M+HCOO]-	262.129611	167.9
[M+CH3COO]-	276.145261	188.1
[M+Na-2H]-	238.106076	153.7
[M]+	217.13086142	151.5
[M]-	217.13195858	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe