CID 97898

84912-19-6

Structural Information

Molecular Formula

C₁₇H₂₆O₂

SMILES

CC(C)C1C(COC(O1)C(C)C2=CC=CC=C2)(C)C

InChI

InChI=1S/C17H26O2/c1-12(2)15-17(4,5)11-18-16(19-15)13(3)14-9-7-6-8-10-14/h6-10,12-13,15-16H,11H2,1-5H3

InChIKey

CPWDBSWFAGSNKH-UHFFFAOYSA-N

Compound name

5,5-dimethyl-2-(1-phenylethyl)-4-propan-2-yl-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 262.19327 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	263.200546	164.4
[M+Na]+	285.182488	169.2
[M-H]-	261.185994	171.8
[M+NH4]+	280.227093	180.5
[M+K]+	301.156428	169.7
[M+H-H2O]+	245.190530	157.8
[M+HCOO]-	307.191471	180.1
[M+CH3COO]-	321.207121	199.9
[M+Na-2H]-	283.167936	166.9
[M]+	262.19272142	164.3
[M]-	262.19381858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe