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
1
Annotation Hits

0
References

34
Patents

178.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 136.9
[M+Na]+ 201.08860 144.9
[M-H]- 177.09210 145.2
[M+NH4]+ 196.13320 156.5
[M+K]+ 217.06254 145.3
[M+H-H2O]+ 161.09664 131.6
[M+HCOO]- 223.09758 158.9
[M+CH3COO]- 237.11323 180.0
[M+Na-2H]- 199.07405 142.6
[M]+ 178.09883 137.8
[M]- 178.09993 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