CID 162278

2,4,5-trimethyl-4-phenyl-1,3-dioxane

Structural Information

Molecular Formula
C13H18O2
SMILES
CC1COC(OC1(C)C2=CC=CC=C2)C
InChI
InChI=1S/C13H18O2/c1-10-9-14-11(2)15-13(10,3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKey
HIPJVLQQRRZAQN-UHFFFAOYSA-N
Compound name
2,4,5-trimethyl-4-phenyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

206.13068 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 145.5
[M+Na]+ 229.119898 152.6
[M-H]- 205.123404 153.6
[M+NH4]+ 224.164503 164.1
[M+K]+ 245.093838 153.1
[M+H-H2O]+ 189.127940 139.4
[M+HCOO]- 251.128881 164.7
[M+CH3COO]- 265.144531 186.0
[M+Na-2H]- 227.105346 152.7
[M]+ 206.13013142 145.3
[M]- 206.13122858 145.3
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