CID 81255

Diethyl isopropylidenemalonate

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

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

InChI

InChI=1S/C10H16O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h5-6H2,1-4H3

InChIKey

WEISAZNMMVPNTH-UHFFFAOYSA-N

Compound name

diethyl 2-propan-2-ylidenepropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 526
Patents: 200.10486 Da
Monoisotopic Mass: 2.4
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	153.6
[M+NH4]+	218.13868	151.1
[M+K]+	239.06802	150.9
[M-H]-	199.09758	142.7
[M+Na-2H]-	221.07953	146.4
[M]+	200.10431	145.6
[M]-	200.10541	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe