CID 230525

2-benzyl-4,5-dimethyl-1,3-dioxolane

Structural Information

Molecular Formula
C12H16O2
SMILES
CC1C(OC(O1)CC2=CC=CC=C2)C
InChI
InChI=1S/C12H16O2/c1-9-10(2)14-12(13-9)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
InChIKey
VMVFTCHLZRRVDJ-UHFFFAOYSA-N
Compound name
2-benzyl-4,5-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

147
Patents

192.11504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.122316 141.8
[M+Na]+ 215.104258 149.3
[M-H]- 191.107764 149.8
[M+NH4]+ 210.148863 160.7
[M+K]+ 231.078198 149.4
[M+H-H2O]+ 175.112300 136.2
[M+HCOO]- 237.113241 163.4
[M+CH3COO]- 251.128891 183.0
[M+Na-2H]- 213.089706 146.9
[M]+ 192.11449142 143.0
[M]- 192.11558858 143.0
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