CID 122601

2-isopropyl-2,5,5-trimethyl-1,3-dioxane

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC(C)C1(OCC(CO1)(C)C)C

InChI

InChI=1S/C10H20O2/c1-8(2)10(5)11-6-9(3,4)7-12-10/h8H,6-7H2,1-5H3

InChIKey

IXOFPNRLOQANTH-UHFFFAOYSA-N

Compound name

2,5,5-trimethyl-2-propan-2-yl-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 172.14633 Da
Monoisotopic Mass: 2.6
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]+	173.15361	138.3
[M+Na]+	195.13555	149.4
[M+NH4]+	190.18015	149.6
[M+K]+	211.10949	141.1
[M-H]-	171.13905	142.7
[M+Na-2H]-	193.12100	145.0
[M]+	172.14578	141.5
[M]-	172.14688	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe