CID 5905098

5420-98-4

Structural Information

Molecular Formula
C13H16O2
SMILES
CC1CCOC(O1)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C13H16O2/c1-11-9-10-14-13(15-11)8-7-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3/b8-7+
InChIKey
LSEPTNAIKXLPFK-BQYQJAHWSA-N
Compound name
4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

204.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.122316 145.8
[M+Na]+ 227.104258 151.4
[M-H]- 203.107764 153.1
[M+NH4]+ 222.148863 162.0
[M+K]+ 243.078198 150.8
[M+H-H2O]+ 187.112300 138.9
[M+HCOO]- 249.113241 165.1
[M+CH3COO]- 263.128891 183.9
[M+Na-2H]- 225.089706 152.5
[M]+ 204.11449142 144.0
[M]- 204.11558858 144.0
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

patents stripe