CID 11971365

94291-56-2

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]+ 291.23186 172.8
[M+Na]+ 313.21380 177.7
[M-H]- 289.21730 180.2
[M+NH4]+ 308.25840 188.0
[M+K]+ 329.18774 177.8
[M+H-H2O]+ 273.22184 166.1
[M+HCOO]- 335.22278 187.8
[M+CH3COO]- 349.23843 207.1
[M+Na-2H]- 311.19925 173.7
[M]+ 290.22403 173.8
[M]- 290.22513 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.