CID 11970878

Einecs 284-447-9

Structural Information

Molecular Formula
C13H18O2
SMILES
CC1COC(O1)C(C)C2=CC=CC=C2C
InChI
InChI=1S/C13H18O2/c1-9-6-4-5-7-12(9)11(3)13-14-8-10(2)15-13/h4-7,10-11,13H,8H2,1-3H3
InChIKey
OWXKXAJVEXCJMQ-UHFFFAOYSA-N
Compound name
4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 146.2
[M+Na]+ 229.11990 158.8
[M+NH4]+ 224.16450 155.2
[M+K]+ 245.09384 154.9
[M-H]- 205.12340 152.6
[M+Na-2H]- 227.10535 151.9
[M]+ 206.13013 149.9
[M]- 206.13123 149.9
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.