CID 123821545

7-oxaspiro[4.5]dec-3-en-2-one

Structural Information

Molecular Formula
C9H12O2
SMILES
C1CC2(CC(=O)C=C2)COC1
InChI
InChI=1S/C9H12O2/c10-8-2-4-9(6-8)3-1-5-11-7-9/h2,4H,1,3,5-7H2
InChIKey
LECCSXLENZPCCQ-UHFFFAOYSA-N
Compound name
7-oxaspiro[4.5]dec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

152.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 132.3
[M+Na]+ 175.07294 143.2
[M+NH4]+ 170.11754 143.2
[M+K]+ 191.04688 137.1
[M-H]- 151.07644 136.3
[M+Na-2H]- 173.05839 139.0
[M]+ 152.08317 135.0
[M]- 152.08427 135.0
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

patents stripe