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]+ 125.05971 123.2
[M+Na]+ 147.04165 134.2
[M-H]- 123.04515 131.0
[M+NH4]+ 142.08625 143.4
[M+K]+ 163.01559 133.6
[M+H-H2O]+ 107.04969 119.2
[M+HCOO]- 169.05063 145.5
[M+CH3COO]- 183.06628 171.8
[M+Na-2H]- 145.02710 130.6
[M]+ 124.05188 125.1
[M]- 124.05298 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.