CID 177072

Dehydrofukinone

Structural Information

Molecular Formula
C15H22O
SMILES
C[C@H]1CCCC2=CC(=O)C(=C(C)C)C[C@]12C
InChI
InChI=1S/C15H22O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h8,11H,5-7,9H2,1-4H3/t11-,15+/m0/s1
InChIKey
DZOKWSREAZGFFC-XHDPSFHLSA-N
Compound name
(4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

18
Patents

218.16707 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 152.9
[M+Na]+ 241.15629 164.6
[M+NH4]+ 236.20089 163.6
[M+K]+ 257.13023 155.4
[M-H]- 217.15979 155.6
[M+Na-2H]- 239.14174 158.0
[M]+ 218.16652 155.5
[M]- 218.16762 155.5
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

patents stripe