CID 110847

1,3-dioxolane, 4,5-dimethyl-2-(2-phenylethenyl)-

Structural Information

Molecular Formula
C13H16O2
SMILES
CC1C(OC(O1)C=CC2=CC=CC=C2)C
InChI
InChI=1S/C13H16O2/c1-10-11(2)15-13(14-10)9-8-12-6-4-3-5-7-12/h3-11,13H,1-2H3
InChIKey
VDWXISSGYHXTDT-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-(2-phenylethenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.122316 145.6
[M+Na]+ 227.104258 153.0
[M-H]- 203.107764 153.5
[M+NH4]+ 222.148863 164.1
[M+K]+ 243.078198 152.3
[M+H-H2O]+ 187.112300 140.0
[M+HCOO]- 249.113241 167.1
[M+CH3COO]- 263.128891 184.6
[M+Na-2H]- 225.089706 150.1
[M]+ 204.11449142 146.4
[M]- 204.11558858 146.4
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