CID 236687

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

Structural Information

Molecular Formula
C12H16O2
SMILES
CC1COC(O1)C(C)C2=CC=CC=C2
InChI
InChI=1S/C12H16O2/c1-9-8-13-12(14-9)10(2)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
InChIKey
KHLVXMUGPANNQD-UHFFFAOYSA-N
Compound name
4-methyl-2-(1-phenylethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

97
Patents

192.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 142.8
[M+Na]+ 215.10426 149.0
[M-H]- 191.10776 150.5
[M+NH4]+ 210.14886 161.3
[M+K]+ 231.07820 149.6
[M+H-H2O]+ 175.11230 137.0
[M+HCOO]- 237.11324 163.3
[M+CH3COO]- 251.12889 182.8
[M+Na-2H]- 213.08971 147.2
[M]+ 192.11449 142.9
[M]- 192.11559 142.9
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

patents stripe