CID 3052785

Brn 5066308

Structural Information

Molecular Formula
C17H18O3
SMILES
CC1=C(C2(CCCCC2)OC1=O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H18O3/c1-12-14(15(18)13-8-4-2-5-9-13)17(20-16(12)19)10-6-3-7-11-17/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChIKey
VDAHQJXRSPCMTL-UHFFFAOYSA-N
Compound name
4-benzoyl-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12558 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 162.6
[M+Na]+ 293.11480 174.7
[M+NH4]+ 288.15940 172.5
[M+K]+ 309.08874 168.1
[M-H]- 269.11830 168.4
[M+Na-2H]- 291.10025 170.1
[M]+ 270.12503 166.0
[M]- 270.12613 166.0
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

No patent data available for this compound.