CID 73828339

Rishitinone

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1CC(CC2C1(CC(CC2=O)C(=C)C)C)O
InChI
InChI=1S/C15H24O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h10-13,16H,1,5-8H2,2-4H3
InChIKey
MZPGODIAQREELD-UHFFFAOYSA-N
Compound name
7-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

236.17763 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 155.1
[M+Na]+ 259.166848 160.8
[M-H]- 235.170354 157.5
[M+NH4]+ 254.211453 175.8
[M+K]+ 275.140788 157.5
[M+H-H2O]+ 219.174890 150.7
[M+HCOO]- 281.175831 168.5
[M+CH3COO]- 295.191481 193.7
[M+Na-2H]- 257.152296 155.4
[M]+ 236.17708142 149.6
[M]- 236.17817858 149.6
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.