CID 78476

2-benzyl-1,3-dioxan-5-ol

Structural Information

Molecular Formula
C11H14O3
SMILES
C1C(COC(O1)CC2=CC=CC=C2)O
InChI
InChI=1S/C11H14O3/c12-10-7-13-11(14-8-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKey
SCBQUBIXYNMXER-UHFFFAOYSA-N
Compound name
2-benzyl-1,3-dioxan-5-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

30
Patents

194.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 141.4
[M+Na]+ 217.08352 154.4
[M+NH4]+ 212.12812 150.1
[M+K]+ 233.05746 148.6
[M-H]- 193.08702 147.8
[M+Na-2H]- 215.06897 148.1
[M]+ 194.09375 145.1
[M]- 194.09485 145.1
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