CID 102567624

861586-07-4

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

CCOC(=O)C1CC(=O)CC(O1)(C)C

InChI

InChI=1S/C10H16O4/c1-4-13-9(12)8-5-7(11)6-10(2,3)14-8/h8H,4-6H2,1-3H3

InChIKey

AMYOKSDUBPEXAB-UHFFFAOYSA-N

Compound name

ethyl 6,6-dimethyl-4-oxooxane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 200.10486 Da
Monoisotopic Mass: 0.5
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]+	201.11214	143.3
[M+Na]+	223.09408	153.4
[M+NH4]+	218.13868	151.6
[M+K]+	239.06802	147.5
[M-H]-	199.09758	144.8
[M+Na-2H]-	221.07953	147.5
[M]+	200.10431	145.0
[M]-	200.10541	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe