CID 198512

2,4,6-triisobutyl-1,3,5-trioxane

Structural Information

Molecular Formula

C₁₅H₃₀O₃

SMILES

CC(C)CC1OC(OC(O1)CC(C)C)CC(C)C

InChI

InChI=1S/C15H30O3/c1-10(2)7-13-16-14(8-11(3)4)18-15(17-13)9-12(5)6/h10-15H,7-9H2,1-6H3

InChIKey

SBVHSWJZXOYLFE-UHFFFAOYSA-N

Compound name

2,4,6-tris(2-methylpropyl)-1,3,5-trioxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 51
Patents: 258.21948 Da
Monoisotopic Mass: 5.1
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]+	259.22676	166.1
[M+Na]+	281.20870	175.5
[M+NH4]+	276.25330	172.7
[M+K]+	297.18264	171.8
[M-H]-	257.21220	170.6
[M+Na-2H]-	279.19415	166.3
[M]+	258.21893	168.7
[M]-	258.22003	168.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe