CID 76906

Dimethyl methylenemalonate

Structural Information

Molecular Formula

C₆H₈O₄

SMILES

COC(=O)C(=C)C(=O)OC

InChI

InChI=1S/C6H8O4/c1-4(5(7)9-2)6(8)10-3/h1H2,2-3H3

InChIKey

KTLZQSZGORXBED-UHFFFAOYSA-N

Compound name

dimethyl 2-methylidenepropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1564
Patents: 144.04225 Da
Monoisotopic Mass: 0.8
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]+	145.049526	126.0
[M+Na]+	167.031468	133.6
[M-H]-	143.034974	126.7
[M+NH4]+	162.076073	147.4
[M+K]+	183.005408	134.9
[M+H-H2O]+	127.039510	121.7
[M+HCOO]-	189.040451	148.6
[M+CH3COO]-	203.056101	173.6
[M+Na-2H]-	165.016916	129.7
[M]+	144.04170142	129.0
[M]-	144.04279858	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe