CID 80617

Diethyl formamidomalonate

Structural Information

Molecular Formula

C₈H₁₃NO₅

SMILES

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

InChI

InChI=1S/C8H13NO5/c1-3-13-7(11)6(9-5-10)8(12)14-4-2/h5-6H,3-4H2,1-2H3,(H,9,10)

InChIKey

PFLHGSJLYNJIOF-UHFFFAOYSA-N

Compound name

diethyl 2-formamidopropanedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 173
Patents: 203.07938 Da
Monoisotopic Mass: 0.3
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]+	204.08666	142.7
[M+Na]+	226.06860	148.4
[M-H]-	202.07210	142.8
[M+NH4]+	221.11320	161.2
[M+K]+	242.04254	149.6
[M+H-H2O]+	186.07664	137.0
[M+HCOO]-	248.07758	165.8
[M+CH3COO]-	262.09323	186.7
[M+Na-2H]-	224.05405	145.4
[M]+	203.07883	147.0
[M]-	203.07993	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe