CID 595928

4-methyl-2-phenyl-1,3-dioxolane

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1COC(O1)C2=CC=CC=C2
InChI
InChI=1S/C10H12O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKey
CDIKGISJRLTLRA-UHFFFAOYSA-N
Compound name
4-methyl-2-phenyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

368
Patents

164.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 132.4
[M+Na]+ 187.07294 139.8
[M-H]- 163.07644 140.4
[M+NH4]+ 182.11754 152.2
[M+K]+ 203.04688 140.5
[M+H-H2O]+ 147.08098 127.0
[M+HCOO]- 209.08192 154.7
[M+CH3COO]- 223.09757 175.9
[M+Na-2H]- 185.05839 139.3
[M]+ 164.08317 132.6
[M]- 164.08427 132.6
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