CID 140439

18856-68-3

Structural Information

Molecular Formula

C₁₀H₁₇NO₄

SMILES

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

InChI

InChI=1S/C10H17NO4/c1-5-14-9(12)8(7-11(3)4)10(13)15-6-2/h7H,5-6H2,1-4H3

InChIKey

XNSXXTKUKYWLAH-UHFFFAOYSA-N

Compound name

diethyl 2-(dimethylaminomethylidene)propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 254
Patents: 215.11575 Da
Monoisotopic Mass: 1.3
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]+	216.12303	149.6
[M+Na]+	238.10497	156.6
[M+NH4]+	233.14957	154.6
[M+K]+	254.07891	153.9
[M-H]-	214.10847	147.1
[M+Na-2H]-	236.09042	150.4
[M]+	215.11520	149.3
[M]-	215.11630	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe