CID 6482362

4-(2-cyclohexylacetyl)-5-hydroxy-2,2,6,6-tetramethyl-cyclohex-4-ene-1,3-dione

Structural Information

Molecular Formula
C18H26O4
SMILES
CC1(C(=C(C(=O)C(C1=O)(C)C)C(=O)CC2CCCCC2)O)C
InChI
InChI=1S/C18H26O4/c1-17(2)14(20)13(15(21)18(3,4)16(17)22)12(19)10-11-8-6-5-7-9-11/h11,20H,5-10H2,1-4H3
InChIKey
XHXFSLWACVMQNK-UHFFFAOYSA-N
Compound name
4-(2-cyclohexylacetyl)-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.1831 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.19038 168.0
[M+Na]+ 329.17232 174.4
[M-H]- 305.17582 173.1
[M+NH4]+ 324.21692 186.6
[M+K]+ 345.14626 171.7
[M+H-H2O]+ 289.18036 163.3
[M+HCOO]- 351.18130 182.7
[M+CH3COO]- 365.19695 205.4
[M+Na-2H]- 327.15777 167.3
[M]+ 306.18255 165.6
[M]- 306.18365 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.