CID 96293

2959-96-8

Structural Information

Molecular Formula
C11H10O3
SMILES
C1CC(=O)OC(=O)C1C2=CC=CC=C2
InChI
InChI=1S/C11H10O3/c12-10-7-6-9(11(13)14-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
NVPRNSAYSSEIGR-UHFFFAOYSA-N
Compound name
3-phenyloxane-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1211
Patents

190.06299 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 138.5
[M+Na]+ 213.05221 152.2
[M+NH4]+ 208.09681 147.3
[M+K]+ 229.02615 145.9
[M-H]- 189.05571 143.7
[M+Na-2H]- 211.03766 146.0
[M]+ 190.06244 141.9
[M]- 190.06354 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe