CID 97353

84522-17-8

Structural Information

Molecular Formula

SMILES

C1=COC(=C1)C(=O)C(=O)N

InChI

InChI=1S/C6H5NO3/c7-6(9)5(8)4-2-1-3-10-4/h1-3H,(H2,7,9)

InChIKey

NXZIOYYELLCYTE-UHFFFAOYSA-N

Compound name

2-(furan-2-yl)-2-oxoacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 139.02695 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]+	140.034226	125.2
[M+Na]+	162.016168	132.8
[M-H]-	138.019674	129.4
[M+NH4]+	157.060773	146.3
[M+K]+	177.990108	133.5
[M+H-H2O]+	122.024210	119.8
[M+HCOO]-	184.025151	150.0
[M+CH3COO]-	198.040801	172.5
[M+Na-2H]-	160.001616	130.4
[M]+	139.02640142	125.1
[M]-	139.02749858	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe