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
5
Annotation Hits

0
References

144
Patents

192.11504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 141.8
[M+Na]+ 215.10426 149.3
[M-H]- 191.10776 149.8
[M+NH4]+ 210.14886 160.7
[M+K]+ 231.07820 149.4
[M+H-H2O]+ 175.11230 136.2
[M+HCOO]- 237.11324 163.4
[M+CH3COO]- 251.12889 183.0
[M+Na-2H]- 213.08971 146.9
[M]+ 192.11449 143.0
[M]- 192.11559 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