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
2
Annotation Hits

0
References

0
Patents

178.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 136.1
[M+Na]+ 201.08860 144.0
[M-H]- 177.09210 144.3
[M+NH4]+ 196.13320 157.3
[M+K]+ 217.06254 144.7
[M+H-H2O]+ 161.09664 131.1
[M+HCOO]- 223.09758 158.1
[M+CH3COO]- 237.11323 178.4
[M+Na-2H]- 199.07405 143.6
[M]+ 178.09883 136.9
[M]- 178.09993 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.