CID 101137

1,3-dioxolane, 4-methyl-2-(2-phenylethenyl)-

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1COC(O1)C=CC2=CC=CC=C2
InChI
InChI=1S/C12H14O2/c1-10-9-13-12(14-10)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3
InChIKey
MQLAQZSLFAOEAK-UHFFFAOYSA-N
Compound name
4-methyl-2-(2-phenylethenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

54
Patents

190.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 141.2
[M+Na]+ 213.088598 148.1
[M-H]- 189.092104 148.8
[M+NH4]+ 208.133203 159.8
[M+K]+ 229.062538 147.6
[M+H-H2O]+ 173.096640 135.4
[M+HCOO]- 235.097581 163.0
[M+CH3COO]- 249.113231 180.4
[M+Na-2H]- 211.074046 146.9
[M]+ 190.09883142 141.2
[M]- 190.09992858 141.2
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

patents stripe