CID 21119697

25687-72-3

Structural Information

Molecular Formula
C11H14O2
SMILES
C[C@@H]1CO[C@@](O1)(C)C2=CC=CC=C2
InChI
InChI=1S/C11H14O2/c1-9-8-12-11(2,13-9)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/t9-,11-/m1/s1
InChIKey
CIHKNVXTQCYONS-MWLCHTKSSA-N
Compound name
(2R,4R)-2,4-dimethyl-2-phenyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
Patents

178.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 136.1
[M+Na]+ 201.088598 144.0
[M-H]- 177.092104 144.3
[M+NH4]+ 196.133203 157.3
[M+K]+ 217.062538 144.7
[M+H-H2O]+ 161.096640 131.1
[M+HCOO]- 223.097581 158.1
[M+CH3COO]- 237.113231 178.4
[M+Na-2H]- 199.074046 143.6
[M]+ 178.09883142 136.9
[M]- 178.09992858 136.9
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

No patent data available for this compound.