CID 95982

85030-15-5

Structural Information

Molecular Formula

C₁₃H₂₄O₂

SMILES

CC(=CCCC1(OCC(CO1)(C)C)C)C

InChI

InChI=1S/C13H24O2/c1-11(2)7-6-8-13(5)14-9-12(3,4)10-15-13/h7H,6,8-10H2,1-5H3

InChIKey

SXMVQVKIMXRILP-UHFFFAOYSA-N

Compound name

2,5,5-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.17763 Da
Monoisotopic Mass: 3.6
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]+	213.184906	149.0
[M+Na]+	235.166848	154.7
[M-H]-	211.170354	153.4
[M+NH4]+	230.211453	169.4
[M+K]+	251.140788	156.1
[M+H-H2O]+	195.174890	145.0
[M+HCOO]-	257.175831	165.8
[M+CH3COO]-	271.191481	188.4
[M+Na-2H]-	233.152296	154.9
[M]+	212.17708142	150.0
[M]-	212.17817858	150.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.