CID 31453

22644-62-8

Structural Information

Molecular Formula
C16H24O3
SMILES
CC(C)C1(COC(OC1)C2=CC=CC=C2)C(C)OC
InChI
InChI=1S/C16H24O3/c1-12(2)16(13(3)17-4)10-18-15(19-11-16)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3
InChIKey
MLBRCQKWCHCCTD-UHFFFAOYSA-N
Compound name
5-(1-methoxyethyl)-2-phenyl-5-propan-2-yl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.17255 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.179826 163.9
[M+Na]+ 287.161768 168.1
[M-H]- 263.165274 171.1
[M+NH4]+ 282.206373 179.5
[M+K]+ 303.135708 169.4
[M+H-H2O]+ 247.169810 157.0
[M+HCOO]- 309.170751 180.2
[M+CH3COO]- 323.186401 197.8
[M+Na-2H]- 285.147216 167.7
[M]+ 264.17200142 164.5
[M]- 264.17309858 164.5
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.