CID 97785

2-(1-phenylethyl)-1,3-dioxolane

Structural Information

Molecular Formula
C11H14O2
SMILES
CC(C1OCCO1)C2=CC=CC=C2
InChI
InChI=1S/C11H14O2/c1-9(11-12-7-8-13-11)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKey
SATZAQAJSHXNSJ-UHFFFAOYSA-N
Compound name
2-(1-phenylethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

21
Patents

178.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 138.3
[M+Na]+ 201.088598 144.0
[M-H]- 177.092104 145.8
[M+NH4]+ 196.133203 157.0
[M+K]+ 217.062538 144.9
[M+H-H2O]+ 161.096640 132.5
[M+HCOO]- 223.097581 159.2
[M+CH3COO]- 237.113231 178.6
[M+Na-2H]- 199.074046 144.0
[M]+ 178.09883142 137.7
[M]- 178.09992858 137.7
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