CID 15405344

224031-70-3

Structural Information

Molecular Formula
C15H22O
SMILES
C=CCCC(=O)C1=CCCC2(C1)CCCC2
InChI
InChI=1S/C15H22O/c1-2-3-8-14(16)13-7-6-11-15(12-13)9-4-5-10-15/h2,7H,1,3-6,8-12H2
InChIKey
WPFFGMCNILGTEA-UHFFFAOYSA-N
Compound name
1-spiro[4.5]dec-8-en-9-ylpent-4-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

598
Patents

218.16707 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 156.3
[M+Na]+ 241.15629 165.7
[M+NH4]+ 236.20089 166.5
[M+K]+ 257.13023 158.0
[M-H]- 217.15979 158.8
[M+Na-2H]- 239.14174 161.8
[M]+ 218.16652 158.3
[M]- 218.16762 158.3
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

patents stripe