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

282
Patents

218.16707 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 155.4
[M+Na]+ 241.156288 159.3
[M-H]- 217.159794 159.6
[M+NH4]+ 236.200893 177.4
[M+K]+ 257.130228 155.7
[M+H-H2O]+ 201.164330 149.4
[M+HCOO]- 263.165271 173.9
[M+CH3COO]- 277.180921 187.5
[M+Na-2H]- 239.141736 156.6
[M]+ 218.16652142 150.1
[M]- 218.16761858 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