CID 59008908

79799-26-1

Structural Information

Molecular Formula

C₁₀H₁₉NO₄

SMILES

CC(CCNC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C10H19NO4/c1-7(8(12)13)5-6-11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)

InChIKey

NMXJIDPAYKUADJ-UHFFFAOYSA-N

Compound name

2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 217.13141 Da
Monoisotopic Mass: 1.4
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	150.9
[M+Na]+	240.120628	155.7
[M-H]-	216.124134	149.6
[M+NH4]+	235.165233	168.6
[M+K]+	256.094568	156.1
[M+H-H2O]+	200.128670	146.1
[M+HCOO]-	262.129611	169.9
[M+CH3COO]-	276.145261	188.6
[M+Na-2H]-	238.106076	152.8
[M]+	217.13086142	152.7
[M]-	217.13195858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe