CID 521550

2-isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-one

Structural Information

Molecular Formula
C15H22O
SMILES
CC1CC(=O)C=C(C12CCC(C2)C(=C)C)C
InChI
InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3
InChIKey
FGCUSSRGQNHZRW-UHFFFAOYSA-N
Compound name
6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

94
Patents

218.16707 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 153.5
[M+Na]+ 241.15629 164.1
[M+NH4]+ 236.20089 163.9
[M+K]+ 257.13023 157.2
[M-H]- 217.15979 156.3
[M+Na-2H]- 239.14174 158.6
[M]+ 218.16652 155.9
[M]- 218.16762 155.9
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