CID 103385

65416-20-8

Structural Information

Molecular Formula
C14H20O2
SMILES
CC1C(OC(OC1C)CC2=CC=CC=C2)C
InChI
InChI=1S/C14H20O2/c1-10-11(2)15-14(16-12(10)3)9-13-7-5-4-6-8-13/h4-8,10-12,14H,9H2,1-3H3
InChIKey
SZDSPAWGINTJBP-UHFFFAOYSA-N
Compound name
2-benzyl-4,5,6-trimethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 151.3
[M+Na]+ 243.13555 157.9
[M-H]- 219.13905 159.1
[M+NH4]+ 238.18015 167.5
[M+K]+ 259.10949 157.8
[M+H-H2O]+ 203.14359 144.5
[M+HCOO]- 265.14453 170.0
[M+CH3COO]- 279.16018 190.7
[M+Na-2H]- 241.12100 156.0
[M]+ 220.14578 151.4
[M]- 220.14688 151.4
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.