CID 6482361

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

Structural Information

Molecular Formula
C17H24O4
SMILES
CC1(C(=C(C(=O)C(C1=O)(C)C)C(=O)C2CCCCC2)O)C
InChI
InChI=1S/C17H24O4/c1-16(2)13(19)11(14(20)17(3,4)15(16)21)12(18)10-8-6-5-7-9-10/h10,19H,5-9H2,1-4H3
InChIKey
HOYFSKZXTUSIIE-UHFFFAOYSA-N
Compound name
4-(cyclohexanecarbonyl)-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

292.16745 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 163.6
[M+Na]+ 315.15667 170.4
[M-H]- 291.16017 168.9
[M+NH4]+ 310.20127 182.8
[M+K]+ 331.13061 168.0
[M+H-H2O]+ 275.16471 159.1
[M+HCOO]- 337.16565 178.6
[M+CH3COO]- 351.18130 202.4
[M+Na-2H]- 313.14212 163.5
[M]+ 292.16690 160.8
[M]- 292.16800 160.8
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.