CID 12200711

5621-43-2

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

CCOC(=O)CCC(=C)C(=O)OCC

InChI

InChI=1S/C10H16O4/c1-4-13-9(11)7-6-8(3)10(12)14-5-2/h3-7H2,1-2H3

InChIKey

CYWQFUQJVLRILO-UHFFFAOYSA-N

Compound name

diethyl 2-methylidenepentanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 200.10486 Da
Monoisotopic Mass: 1.5
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]+	201.11214	145.9
[M+Na]+	223.09408	154.0
[M+NH4]+	218.13868	151.2
[M+K]+	239.06802	150.4
[M-H]-	199.09758	142.9
[M+Na-2H]-	221.07953	146.8
[M]+	200.10431	145.7
[M]-	200.10541	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe