CID 95118

Diethyl 2-methylenemalonate

Structural Information

Molecular Formula

C₈H₁₂O₄

SMILES

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

InChI

InChI=1S/C8H12O4/c1-4-11-7(9)6(3)8(10)12-5-2/h3-5H2,1-2H3

InChIKey

BQHDXNZNSPVVKB-UHFFFAOYSA-N

Compound name

diethyl 2-methylidenepropanedioate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1080
Patents: 172.07356 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]+	173.08084	137.3
[M+Na]+	195.06278	145.7
[M+NH4]+	190.10738	142.8
[M+K]+	211.03672	142.6
[M-H]-	171.06628	134.3
[M+Na-2H]-	193.04823	138.6
[M]+	172.07301	137.1
[M]-	172.07411	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe