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]+ 217.122316 147.0
[M+Na]+ 239.104258 155.1
[M-H]- 215.107764 154.5
[M+NH4]+ 234.148863 168.2
[M+K]+ 255.078198 152.8
[M+H-H2O]+ 199.112300 141.6
[M+HCOO]- 261.113241 169.4
[M+CH3COO]- 275.128891 186.8
[M+Na-2H]- 237.089706 151.5
[M]+ 216.11449142 147.3
[M]- 216.11558858 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.