CID 533739

1,1-diethyl 2-formylcyclopropane-1,1-dicarboxylate

Structural Information

Molecular Formula

C₁₀H₁₄O₅

SMILES

CCOC(=O)C1(CC1C=O)C(=O)OCC

InChI

InChI=1S/C10H14O5/c1-3-14-8(12)10(5-7(10)6-11)9(13)15-4-2/h6-7H,3-5H2,1-2H3

InChIKey

MWLAEDWMBJEXGH-UHFFFAOYSA-N

Compound name

diethyl 2-formylcyclopropane-1,1-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 214.08412 Da
Monoisotopic Mass: 0.3
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]+	215.09140	147.0
[M+Na]+	237.07334	156.5
[M-H]-	213.07684	151.9
[M+NH4]+	232.11794	163.0
[M+K]+	253.04728	155.7
[M+H-H2O]+	197.08138	142.6
[M+HCOO]-	259.08232	169.1
[M+CH3COO]-	273.09797	189.1
[M+Na-2H]-	235.05879	150.9
[M]+	214.08357	155.6
[M]-	214.08467	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe