CID 112457

4-isopropyl-2,2,5,5-tetramethyl-1,3-dioxane

Structural Information

Molecular Formula
C11H22O2
SMILES
CC(C)C1C(COC(O1)(C)C)(C)C
InChI
InChI=1S/C11H22O2/c1-8(2)9-10(3,4)7-12-11(5,6)13-9/h8-9H,7H2,1-6H3
InChIKey
WVYKHQRCBWWGFK-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-4-propan-2-yl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

99
Patents

186.16199 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.169266 139.5
[M+Na]+ 209.151208 146.7
[M-H]- 185.154714 144.7
[M+NH4]+ 204.195813 161.3
[M+K]+ 225.125148 149.1
[M+H-H2O]+ 169.159250 136.2
[M+HCOO]- 231.160191 156.8
[M+CH3COO]- 245.175841 185.1
[M+Na-2H]- 207.136656 146.0
[M]+ 186.16144142 141.0
[M]- 186.16253858 141.0
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