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]+ 265.17983 163.9
[M+Na]+ 287.16177 168.1
[M-H]- 263.16527 171.1
[M+NH4]+ 282.20637 179.5
[M+K]+ 303.13571 169.4
[M+H-H2O]+ 247.16981 157.0
[M+HCOO]- 309.17075 180.2
[M+CH3COO]- 323.18640 197.8
[M+Na-2H]- 285.14722 167.7
[M]+ 264.17200 164.5
[M]- 264.17310 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.