CID 284432

20939-62-2

Structural Information

Molecular Formula

C₁₁H₁₈O₄

SMILES

CCOC(=O)C1(CC(C1)C)C(=O)OCC

InChI

InChI=1S/C11H18O4/c1-4-14-9(12)11(6-8(3)7-11)10(13)15-5-2/h8H,4-7H2,1-3H3

InChIKey

CLSYQNLJGWLNKH-UHFFFAOYSA-N

Compound name

diethyl 3-methylcyclobutane-1,1-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 214.12051 Da
Monoisotopic Mass: 2.0
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]+	215.12779	151.9
[M+Na]+	237.10973	156.1
[M+NH4]+	232.15433	155.4
[M+K]+	253.08367	152.3
[M-H]-	213.11323	148.2
[M+Na-2H]-	235.09518	152.8
[M]+	214.11996	150.1
[M]-	214.12106	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe