CID 4962834

3-methyl-3-phenyloxolane-2,5-dione

Structural Information

Molecular Formula
C11H10O3
SMILES
CC1(CC(=O)OC1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H10O3/c1-11(7-9(12)14-10(11)13)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
AEEWWNZSKBVUBZ-UHFFFAOYSA-N
Compound name
3-methyl-3-phenyloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
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 136.1
[M+Na]+ 213.05221 145.4
[M-H]- 189.05571 144.2
[M+NH4]+ 208.09681 158.3
[M+K]+ 229.02615 144.4
[M+H-H2O]+ 173.06025 131.2
[M+HCOO]- 235.06119 159.7
[M+CH3COO]- 249.07684 179.8
[M+Na-2H]- 211.03766 142.3
[M]+ 190.06244 136.8
[M]- 190.06354 136.8
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

patents stripe