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]+	215.127786	148.5
[M+Na]+	237.109728	153.5
[M-H]-	213.113234	151.9
[M+NH4]+	232.154333	162.6
[M+K]+	253.083668	156.8
[M+H-H2O]+	197.117770	139.3
[M+HCOO]-	259.118711	168.2
[M+CH3COO]-	273.134361	190.7
[M+Na-2H]-	235.095176	150.7
[M]+	214.11996142	160.8
[M]-	214.12105858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe