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]+ 293.174726 163.6
[M+Na]+ 315.156668 170.4
[M-H]- 291.160174 168.9
[M+NH4]+ 310.201273 182.8
[M+K]+ 331.130608 168.0
[M+H-H2O]+ 275.164710 159.1
[M+HCOO]- 337.165651 178.6
[M+CH3COO]- 351.181301 202.4
[M+Na-2H]- 313.142116 163.5
[M]+ 292.16690142 160.8
[M]- 292.16799858 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.