CID 21639668

1,3-diethyl 2-cyclobutylpropanedioate

Structural Information

Molecular Formula

C₁₁H₁₈O₄

SMILES

CCOC(=O)C(C1CCC1)C(=O)OCC

InChI

InChI=1S/C11H18O4/c1-3-14-10(12)9(8-6-5-7-8)11(13)15-4-2/h8-9H,3-7H2,1-2H3

InChIKey

ZULXCGVXEGQINO-UHFFFAOYSA-N

Compound name

diethyl 2-cyclobutylpropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 214.12051 Da
Monoisotopic Mass: 2.6
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	152.3
[M+Na]+	237.10973	155.6
[M+NH4]+	232.15433	154.3
[M+K]+	253.08367	154.0
[M-H]-	213.11323	148.3
[M+Na-2H]-	235.09518	151.4
[M]+	214.11996	150.0
[M]-	214.12106	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe