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]+ 219.174346 160.6
[M+Na]+ 241.156288 166.0
[M-H]- 217.159794 162.0
[M+NH4]+ 236.200893 179.5
[M+K]+ 257.130228 165.8
[M+H-H2O]+ 201.164330 151.2
[M+HCOO]- 263.165271 171.1
[M+CH3COO]- 277.180921 202.3
[M+Na-2H]- 239.141736 165.5
[M]+ 218.16652142 171.1
[M]- 218.16761858 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.