CID 221639

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

Structural Information

Molecular Formula
C11H14O2
SMILES
CC1C(OC(O1)C2=CC=CC=C2)C
InChI
InChI=1S/C11H14O2/c1-8-9(2)13-11(12-8)10-6-4-3-5-7-10/h3-9,11H,1-2H3
InChIKey
KELZBYQXUNVXEU-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-phenyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

178.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 136.9
[M+Na]+ 201.088598 144.9
[M-H]- 177.092104 145.2
[M+NH4]+ 196.133203 156.5
[M+K]+ 217.062538 145.3
[M+H-H2O]+ 161.096640 131.6
[M+HCOO]- 223.097581 158.9
[M+CH3COO]- 237.113231 180.0
[M+Na-2H]- 199.074046 142.6
[M]+ 178.09883142 137.8
[M]- 178.09992858 137.8
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