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
3
Annotation Hits

0
References

53
Patents

258.21948 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.226756 170.0
[M+Na]+ 281.208698 173.2
[M-H]- 257.212204 174.3
[M+NH4]+ 276.253303 183.1
[M+K]+ 297.182638 176.0
[M+H-H2O]+ 241.216740 163.8
[M+HCOO]- 303.217681 183.0
[M+CH3COO]- 317.233331 202.1
[M+Na-2H]- 279.194146 169.7
[M]+ 258.21893142 172.8
[M]- 258.22002858 172.8
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

patents stripe