CID 64811

2-phenethyl-1,3-dioxolane

Structural Information

Molecular Formula
C11H14O2
SMILES
C1COC(O1)CCC2=CC=CC=C2
InChI
InChI=1S/C11H14O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-5,11H,6-9H2
InChIKey
LEBHHJDUAJKLKG-UHFFFAOYSA-N
Compound name
2-(2-phenylethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
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 137.5
[M+Na]+ 201.08860 143.4
[M-H]- 177.09210 144.8
[M+NH4]+ 196.13320 156.3
[M+K]+ 217.06254 143.9
[M+H-H2O]+ 161.09664 131.5
[M+HCOO]- 223.09758 159.4
[M+CH3COO]- 237.11323 177.8
[M+Na-2H]- 199.07405 144.4
[M]+ 178.09883 137.5
[M]- 178.09993 137.5
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