CID 12313013

Mustakone

Structural Information

Molecular Formula
C15H22O
SMILES
CC1=CC(=O)C2C3C1C2(CCC3C(C)C)C
InChI
InChI=1S/C15H22O/c1-8(2)10-5-6-15(4)13-9(3)7-11(16)14(15)12(10)13/h7-8,10,12-14H,5-6H2,1-4H3
InChIKey
CTFSUCDHRVDRKG-UHFFFAOYSA-N
Compound name
1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 160.6
[M+Na]+ 241.15629 166.0
[M-H]- 217.15979 162.0
[M+NH4]+ 236.20089 179.5
[M+K]+ 257.13023 165.8
[M+H-H2O]+ 201.16433 151.2
[M+HCOO]- 263.16527 171.1
[M+CH3COO]- 277.18092 202.3
[M+Na-2H]- 239.14174 165.5
[M]+ 218.16652 171.1
[M]- 218.16762 171.1
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.