CID 11830267

2-methyl-2-phenethyl-1,3-dioxolane

Structural Information

Molecular Formula
C12H16O2
SMILES
CC1(OCCO1)CCC2=CC=CC=C2
InChI
InChI=1S/C12H16O2/c1-12(13-9-10-14-12)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKey
OJOLQQYGVSXYOP-UHFFFAOYSA-N
Compound name
2-methyl-2-(2-phenylethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

192.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.122316 141.5
[M+Na]+ 215.104258 148.0
[M-H]- 191.107764 149.1
[M+NH4]+ 210.148863 161.8
[M+K]+ 231.078198 148.4
[M+H-H2O]+ 175.112300 136.0
[M+HCOO]- 237.113241 163.1
[M+CH3COO]- 251.128891 180.3
[M+Na-2H]- 213.089706 149.0
[M]+ 192.11449142 142.2
[M]- 192.11558858 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe