CID 69874

2-phenyl-1,3-dioxane

Structural Information

Molecular Formula
C10H12O2
SMILES
C1COC(OC1)C2=CC=CC=C2
InChI
InChI=1S/C10H12O2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10H,4,7-8H2
InChIKey
LNEMDIUSUQPKIP-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

532
Patents

164.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 132.7
[M+Na]+ 187.07294 138.1
[M-H]- 163.07644 140.0
[M+NH4]+ 182.11754 150.1
[M+K]+ 203.04688 139.0
[M+H-H2O]+ 147.08098 126.1
[M+HCOO]- 209.08192 152.8
[M+CH3COO]- 223.09757 146.1
[M+Na-2H]- 185.05839 141.7
[M]+ 164.08317 130.2
[M]- 164.08427 130.2
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

No patent data available for this compound.