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

53
Patents

258.21948 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.22676 170.0
[M+Na]+ 281.20870 173.2
[M-H]- 257.21220 174.3
[M+NH4]+ 276.25330 183.1
[M+K]+ 297.18264 176.0
[M+H-H2O]+ 241.21674 163.8
[M+HCOO]- 303.21768 183.0
[M+CH3COO]- 317.23333 202.1
[M+Na-2H]- 279.19415 169.7
[M]+ 258.21893 172.8
[M]- 258.22003 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