CID 10313234

Actinol

Structural Information

Molecular Formula
C9H16O2
SMILES
C[C@@H]1C[C@H](CC(C1=O)(C)C)O
InChI
InChI=1S/C9H16O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6-7,10H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKey
CSPVUHYZUZZRGF-RNFRBKRXSA-N
Compound name
trans-(4R,6R)-4-hydroxy-2,2,6-trimethylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

475
Patents

156.11504 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 131.7
[M+Na]+ 179.10426 139.6
[M-H]- 155.10776 134.4
[M+NH4]+ 174.14886 154.7
[M+K]+ 195.07820 138.3
[M+H-H2O]+ 139.11230 128.2
[M+HCOO]- 201.11324 151.1
[M+CH3COO]- 215.12889 176.0
[M+Na-2H]- 177.08971 135.9
[M]+ 156.11449 129.2
[M]- 156.11559 129.2
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

No patent data available for this compound.