CID 15405345

4-penten-1-one, 1-spiro[4.5]dec-6-en-7-yl-

Structural Information

Molecular Formula
C15H22O
SMILES
C=CCCC(=O)C1=CC2(CCCC2)CCC1
InChI
InChI=1S/C15H22O/c1-2-3-8-14(16)13-7-6-11-15(12-13)9-4-5-10-15/h2,12H,1,3-11H2
InChIKey
CFSRLACKBAWQFO-UHFFFAOYSA-N
Compound name
1-spiro[4.5]dec-9-en-9-ylpent-4-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

274
Patents

218.16707 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 155.4
[M+Na]+ 241.15629 159.3
[M-H]- 217.15979 159.6
[M+NH4]+ 236.20089 177.4
[M+K]+ 257.13023 155.7
[M+H-H2O]+ 201.16433 149.4
[M+HCOO]- 263.16527 173.9
[M+CH3COO]- 277.18092 187.5
[M+Na-2H]- 239.14174 156.6
[M]+ 218.16652 150.1
[M]- 218.16762 150.1
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