CID 12309746

1(2h)-naphthalenone, 3,4,4a,5,6,7-hexahydro-4a,5-dimethyl-3-(1-methylethenyl)-, [3s-(3.alpha.,4a.alpha.,5.alpha.)]-

Structural Information

Molecular Formula
C15H22O
SMILES
CC1CCC=C2C1(CC(CC2=O)C(=C)C)C
InChI
InChI=1S/C15H22O/c1-10(2)12-8-14(16)13-7-5-6-11(3)15(13,4)9-12/h7,11-12H,1,5-6,8-9H2,2-4H3
InChIKey
BSUGIIZTULADOL-UHFFFAOYSA-N
Compound name
4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

218.16707 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 152.8
[M+Na]+ 241.15629 164.4
[M+NH4]+ 236.20089 163.5
[M+K]+ 257.13023 155.2
[M-H]- 217.15979 155.5
[M+Na-2H]- 239.14174 157.9
[M]+ 218.16652 155.3
[M]- 218.16762 155.3
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.