CID 73790

1559-02-0

Structural Information

Molecular Formula

C₉H₁₄O₄

SMILES

CCOC(=O)C1(CC1)C(=O)OCC

InChI

InChI=1S/C9H14O4/c1-3-12-7(10)9(5-6-9)8(11)13-4-2/h3-6H2,1-2H3

InChIKey

KYYUCZOHNYSLFV-UHFFFAOYSA-N

Compound name

diethyl cyclopropane-1,1-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 680
Patents: 186.0892 Da
Monoisotopic Mass: 1.2
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]+	187.09648	142.1
[M+Na]+	209.07842	150.9
[M-H]-	185.08192	146.9
[M+NH4]+	204.12302	159.0
[M+K]+	225.05236	150.7
[M+H-H2O]+	169.08646	137.5
[M+HCOO]-	231.08740	164.2
[M+CH3COO]-	245.10305	184.0
[M+Na-2H]-	207.06387	146.9
[M]+	186.08865	149.1
[M]-	186.08975	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe