CID 3040835

53000-09-2

Structural Information

Molecular Formula
C12H12O3
SMILES
CC(=O)C1CC(=O)OC1C2=CC=CC=C2
InChI
InChI=1S/C12H12O3/c1-8(13)10-7-11(14)15-12(10)9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3
InChIKey
JRIZMXAHUIDMMH-UHFFFAOYSA-N
Compound name
4-acetyl-5-phenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

204.07864 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 143.5
[M+Na]+ 227.06786 155.5
[M+NH4]+ 222.11246 151.7
[M+K]+ 243.04180 151.9
[M-H]- 203.07136 147.6
[M+Na-2H]- 225.05331 149.3
[M]+ 204.07809 146.3
[M]- 204.07919 146.3
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