CID 14489281

9alpha,11-dihydroxydrim-7-en-6-one

Structural Information

Molecular Formula
C15H24O3
SMILES
CC1=CC(=O)[C@@H]2[C@@]([C@]1(CO)O)(CCCC2(C)C)C
InChI
InChI=1S/C15H24O3/c1-10-8-11(17)12-13(2,3)6-5-7-14(12,4)15(10,18)9-16/h8,12,16,18H,5-7,9H2,1-4H3/t12-,14-,15+/m0/s1
InChIKey
CKASNEFFHUIZEG-AEGPPILISA-N
Compound name
(4R,4aS,8aS)-4-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

252.17255 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.179826 156.0
[M+Na]+ 275.161768 164.3
[M-H]- 251.165274 158.1
[M+NH4]+ 270.206373 179.6
[M+K]+ 291.135708 161.2
[M+H-H2O]+ 235.169810 152.9
[M+HCOO]- 297.170751 170.3
[M+CH3COO]- 311.186401 192.5
[M+Na-2H]- 273.147216 160.8
[M]+ 252.17200142 154.1
[M]- 252.17309858 154.1
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.