CID 94001

58244-29-4

Structural Information

Molecular Formula
C11H14O2
SMILES
CC1COC(O1)C2=CC=C(C=C2)C
InChI
InChI=1S/C11H14O2/c1-8-3-5-10(6-4-8)11-12-7-9(2)13-11/h3-6,9,11H,7H2,1-2H3
InChIKey
VPBUQMKUEPQXKR-UHFFFAOYSA-N
Compound name
4-methyl-2-(4-methylphenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

27
Patents

178.09938 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe