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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.