CID 15694585

(-)-kanshone a

Structural Information

Molecular Formula
C15H24O2
SMILES
C[C@@H]1CCC=C2[C@]1([C@@H](CCC2=O)C(C)(C)O)C
InChI
InChI=1S/C15H24O2/c1-10-6-5-7-11-12(16)8-9-13(14(2,3)17)15(10,11)4/h7,10,13,17H,5-6,8-9H2,1-4H3/t10-,13+,15+/m1/s1
InChIKey
LVUPOAWDACSHHD-DGFSRKRXSA-N
Compound name
(4R,4aR,5R)-4-(2-hydroxypropan-2-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 155.8
[M+Na]+ 259.16685 162.0
[M-H]- 235.17035 158.4
[M+NH4]+ 254.21145 176.5
[M+K]+ 275.14079 159.1
[M+H-H2O]+ 219.17489 151.4
[M+HCOO]- 281.17583 169.9
[M+CH3COO]- 295.19148 192.3
[M+Na-2H]- 257.15230 159.7
[M]+ 236.17708 152.3
[M]- 236.17818 152.3
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.