CID 7562

2-benzyl-1,3-dioxolane

Structural Information

Molecular Formula
C10H12O2
SMILES
C1COC(O1)CC2=CC=CC=C2
InChI
InChI=1S/C10H12O2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10H,6-8H2
InChIKey
SSZACLYPEFCREM-UHFFFAOYSA-N
Compound name
2-benzyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

5177
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 132.7
[M+Na]+ 187.07294 139.1
[M-H]- 163.07644 140.2
[M+NH4]+ 182.11754 152.0
[M+K]+ 203.04688 139.8
[M+H-H2O]+ 147.08098 127.0
[M+HCOO]- 209.08192 154.9
[M+CH3COO]- 223.09757 174.8
[M+Na-2H]- 185.05839 140.2
[M]+ 164.08317 132.4
[M]- 164.08427 132.4
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