CID 504604

6-phenyl-5-oxa-7-azaspiro[2.4]hept-6-en-4-one

Structural Information

Molecular Formula

C₁₁H₉NO₂

SMILES

C1CC12C(=O)OC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C11H9NO2/c13-10-11(6-7-11)12-9(14-10)8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

BGLLCYNAEQRVGF-UHFFFAOYSA-N

Compound name

5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 187.06332 Da
Monoisotopic Mass: 1.8
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]+	188.07060	139.9
[M+Na]+	210.05254	151.4
[M-H]-	186.05604	149.4
[M+NH4]+	205.09714	156.2
[M+K]+	226.02648	149.8
[M+H-H2O]+	170.06058	133.5
[M+HCOO]-	232.06152	162.9
[M+CH3COO]-	246.07717	154.2
[M+Na-2H]-	208.03799	147.7
[M]+	187.06277	143.1
[M]-	187.06387	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe