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

64
Patents

190.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 141.2
[M+Na]+ 213.08860 148.1
[M-H]- 189.09210 148.8
[M+NH4]+ 208.13320 159.8
[M+K]+ 229.06254 147.6
[M+H-H2O]+ 173.09664 135.4
[M+HCOO]- 235.09758 163.0
[M+CH3COO]- 249.11323 180.4
[M+Na-2H]- 211.07405 146.9
[M]+ 190.09883 141.2
[M]- 190.09993 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