CID 165941547

1-oxaspiro[4.5]dec-3-en-8-one

Structural Information

Molecular Formula
C9H12O2
SMILES
C1CC2(CCC1=O)C=CCO2
InChI
InChI=1S/C9H12O2/c10-8-2-5-9(6-3-8)4-1-7-11-9/h1,4H,2-3,5-7H2
InChIKey
LNKOUMGOADLTOW-UHFFFAOYSA-N
Compound name
1-oxaspiro[4.5]dec-3-en-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 130.4
[M+Na]+ 175.072938 137.0
[M-H]- 151.076444 136.4
[M+NH4]+ 170.117543 154.0
[M+K]+ 191.046878 136.6
[M+H-H2O]+ 135.080980 125.5
[M+HCOO]- 197.081921 151.2
[M+CH3COO]- 211.097571 171.3
[M+Na-2H]- 173.058386 137.3
[M]+ 152.08317142 126.6
[M]- 152.08426858 126.6
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.