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 147.0
[M+Na]+ 239.10426 155.1
[M-H]- 215.10776 154.5
[M+NH4]+ 234.14886 168.2
[M+K]+ 255.07820 152.8
[M+H-H2O]+ 199.11230 141.6
[M+HCOO]- 261.11324 169.4
[M+CH3COO]- 275.12889 186.8
[M+Na-2H]- 237.08971 151.5
[M]+ 216.11449 147.3
[M]- 216.11559 147.3
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

No patent data available for this compound.