CID 11971365

Einecs 304-881-5

Structural Information

Molecular Formula
C19H30O2
SMILES
CC1CC(OC(O1)C(C)CC2=CC=C(C=C2)C(C)C)(C)C
InChI
InChI=1S/C19H30O2/c1-13(2)17-9-7-16(8-10-17)11-14(3)18-20-15(4)12-19(5,6)21-18/h7-10,13-15,18H,11-12H2,1-6H3
InChIKey
HMBQDSPREBNWHZ-UHFFFAOYSA-N
Compound name
4,4,6-trimethyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.22458 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.231856 172.8
[M+Na]+ 313.213798 177.7
[M-H]- 289.217304 180.2
[M+NH4]+ 308.258403 188.0
[M+K]+ 329.187738 177.8
[M+H-H2O]+ 273.221840 166.1
[M+HCOO]- 335.222781 187.8
[M+CH3COO]- 349.238431 207.1
[M+Na-2H]- 311.199246 173.7
[M]+ 290.22403142 173.8
[M]- 290.22512858 173.8
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

No patent data available for this compound.