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
2
Annotation Hits

0
References

1
Patents

206.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 147.1
[M+Na]+ 229.119898 153.9
[M-H]- 205.123404 155.1
[M+NH4]+ 224.164503 165.4
[M+K]+ 245.093838 154.2
[M+H-H2O]+ 189.127940 141.5
[M+HCOO]- 251.128881 167.3
[M+CH3COO]- 265.144531 186.9
[M+Na-2H]- 227.105346 150.4
[M]+ 206.13013142 148.1
[M]- 206.13122858 148.1
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