CID 86028

16556-52-8

Structural Information

Molecular Formula
C16H28O2
SMILES
CCCCOC1=CC(C(C(C1)(C)C)C(=O)C)(C)C
InChI
InChI=1S/C16H28O2/c1-7-8-9-18-13-10-15(3,4)14(12(2)17)16(5,6)11-13/h10,14H,7-9,11H2,1-6H3
InChIKey
CEFRLRCVISSIDU-UHFFFAOYSA-N
Compound name
1-(4-butoxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

252.20892 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.216196 157.4
[M+Na]+ 275.198138 164.5
[M-H]- 251.201644 161.0
[M+NH4]+ 270.242743 179.3
[M+K]+ 291.172078 163.1
[M+H-H2O]+ 235.206180 153.5
[M+HCOO]- 297.207121 176.5
[M+CH3COO]- 311.222771 199.9
[M+Na-2H]- 273.183586 159.7
[M]+ 252.20837142 160.6
[M]- 252.20946858 160.6
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