CID 167729645

6-methylidene-5-oxaspiro[2.4]heptan-4-one

Structural Information

Molecular Formula
C7H8O2
SMILES
C=C1CC2(CC2)C(=O)O1
InChI
InChI=1S/C7H8O2/c1-5-4-7(2-3-7)6(8)9-5/h1-4H2
InChIKey
PGBWUCJOSKIWKI-UHFFFAOYSA-N
Compound name
6-methylidene-5-oxaspiro[2.4]heptan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.05243 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.059706 123.2
[M+Na]+ 147.041648 134.2
[M-H]- 123.045154 131.0
[M+NH4]+ 142.086253 143.4
[M+K]+ 163.015588 133.6
[M+H-H2O]+ 107.049690 119.2
[M+HCOO]- 169.050631 145.5
[M+CH3COO]- 183.066281 171.8
[M+Na-2H]- 145.027096 130.6
[M]+ 124.05188142 125.1
[M]- 124.05297858 125.1
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

No patent data available for this compound.