CID 155821025

Tert-butyl 2,6-dioxooxane-4-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₄O₅

SMILES

CC(C)(C)OC(=O)C1CC(=O)OC(=O)C1

InChI

InChI=1S/C10H14O5/c1-10(2,3)15-9(13)6-4-7(11)14-8(12)5-6/h6H,4-5H2,1-3H3

InChIKey

JGLQOSLKSMDPOF-UHFFFAOYSA-N

Compound name

tert-butyl 2,6-dioxooxane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.08412 Da
Monoisotopic Mass: 0.4
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]+	215.091396	142.1
[M+Na]+	237.073338	149.0
[M-H]-	213.076844	146.3
[M+NH4]+	232.117943	159.7
[M+K]+	253.047278	150.3
[M+H-H2O]+	197.081380	137.3
[M+HCOO]-	259.082321	160.4
[M+CH3COO]-	273.097971	185.5
[M+Na-2H]-	235.058786	146.8
[M]+	214.08357142	143.6
[M]-	214.08466858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.