CID 22505721

Spiro[2.4]heptane-4,7-dione

Structural Information

Molecular Formula
C7H8O2
SMILES
C1CC(=O)C2(C1=O)CC2
InChI
InChI=1S/C7H8O2/c8-5-1-2-6(9)7(5)3-4-7/h1-4H2
InChIKey
UWGVRLVELQUPHD-UHFFFAOYSA-N
Compound name
spiro[2.4]heptane-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

124.05243 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.05971 124.6
[M+Na]+ 147.04165 135.4
[M-H]- 123.04515 131.7
[M+NH4]+ 142.08625 145.9
[M+K]+ 163.01559 133.6
[M+H-H2O]+ 107.04969 120.5
[M+HCOO]- 169.05063 147.8
[M+CH3COO]- 183.06628 171.8
[M+Na-2H]- 145.02710 130.9
[M]+ 124.05188 125.7
[M]- 124.05298 125.7
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