CID 86029

16556-55-1

Structural Information

Molecular Formula
C17H30O2
SMILES
CC(C)CCOC1=CC(C(C(C1)(C)C)C(=O)C)(C)C
InChI
InChI=1S/C17H30O2/c1-12(2)8-9-19-14-10-16(4,5)15(13(3)18)17(6,7)11-14/h10,12,15H,8-9,11H2,1-7H3
InChIKey
UCXHCWOVLRUIMX-UHFFFAOYSA-N
Compound name
1-[2,2,6,6-tetramethyl-4-(3-methylbutoxy)cyclohex-3-en-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

266.22458 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.23186 165.4
[M+Na]+ 289.21380 175.7
[M+NH4]+ 284.25840 175.5
[M+K]+ 305.18774 166.2
[M-H]- 265.21730 166.6
[M+Na-2H]- 287.19925 171.3
[M]+ 266.22403 167.5
[M]- 266.22513 167.5
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