CID 90770

Dimethyl methoxymethylenemalonate

Structural Information

Molecular Formula

C₇H₁₀O₅

SMILES

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

InChI

InChI=1S/C7H10O5/c1-10-4-5(6(8)11-2)7(9)12-3/h4H,1-3H3

InChIKey

RHFZTBSULNJWEI-UHFFFAOYSA-N

Compound name

dimethyl 2-(methoxymethylidene)propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 700
Patents: 174.05283 Da
Monoisotopic Mass: 0.4
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]+	175.06011	133.6
[M+Na]+	197.04205	140.8
[M-H]-	173.04555	134.1
[M+NH4]+	192.08665	153.8
[M+K]+	213.01599	142.3
[M+H-H2O]+	157.05009	128.8
[M+HCOO]-	219.05103	156.0
[M+CH3COO]-	233.06668	178.1
[M+Na-2H]-	195.02750	136.7
[M]+	174.05228	138.4
[M]-	174.05338	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe