CID 59041

101833-09-4

Structural Information

Molecular Formula
C14H16O2
SMILES
CC1CC(C(=O)O1)(CC=C)C2=CC=CC=C2
InChI
InChI=1S/C14H16O2/c1-3-9-14(10-11(2)16-13(14)15)12-7-5-4-6-8-12/h3-8,11H,1,9-10H2,2H3
InChIKey
QEEZGNLDPXQOOA-UHFFFAOYSA-N
Compound name
5-methyl-3-phenyl-3-prop-2-enyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.12232 149.0
[M+Na]+ 239.10426 161.5
[M+NH4]+ 234.14886 158.9
[M+K]+ 255.07820 154.4
[M-H]- 215.10776 153.7
[M+Na-2H]- 237.08971 156.6
[M]+ 216.11449 152.2
[M]- 216.11559 152.2
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.