CID 15931647

119960-04-2

Structural Information

Molecular Formula

C₁₀H₁₇NO₅

SMILES

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

InChI

InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-6-7(12)5-8(13)15-4/h5-6H2,1-4H3,(H,11,14)

InChIKey

WOBLFZAAUVEUJC-UHFFFAOYSA-N

Compound name

methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 231.11067 Da
Monoisotopic Mass: 0.7
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]+	232.117946	151.2
[M+Na]+	254.099888	156.6
[M-H]-	230.103394	151.4
[M+NH4]+	249.144493	168.9
[M+K]+	270.073828	157.9
[M+H-H2O]+	214.107930	146.0
[M+HCOO]-	276.108871	172.1
[M+CH3COO]-	290.124521	191.7
[M+Na-2H]-	252.085336	153.9
[M]+	231.11012142	155.6
[M]-	231.11121858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe