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
4
Annotation Hits

0
References

141
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 141.4
[M+Na]+ 215.10426 154.6
[M+NH4]+ 210.14886 150.7
[M+K]+ 231.07820 150.1
[M-H]- 191.10776 148.1
[M+Na-2H]- 213.08971 147.8
[M]+ 192.11449 145.3
[M]- 192.11559 145.3
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