CID 2763516

66318-15-8

Structural Information

Molecular Formula

C₉H₁₁NO₄

SMILES

CCOC(=O)CNC(=O)C1=CC=CO1

InChI

InChI=1S/C9H11NO4/c1-2-13-8(11)6-10-9(12)7-4-3-5-14-7/h3-5H,2,6H2,1H3,(H,10,12)

InChIKey

PPKUFYUCBZLPPP-UHFFFAOYSA-N

Compound name

ethyl 2-(furan-2-carbonylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 197.0688 Da
Monoisotopic Mass: 0.6
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]+	198.07608	142.7
[M+Na]+	220.05802	151.2
[M+NH4]+	215.10262	148.8
[M+K]+	236.03196	149.6
[M-H]-	196.06152	143.7
[M+Na-2H]-	218.04347	145.9
[M]+	197.06825	143.7
[M]-	197.06935	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe