CID 2737102

2-oxaspiro[4.4]nonane-1,3-dione

Structural Information

Molecular Formula
C8H10O3
SMILES
C1CCC2(C1)CC(=O)OC2=O
InChI
InChI=1S/C8H10O3/c9-6-5-8(7(10)11-6)3-1-2-4-8/h1-5H2
InChIKey
HOKKSYPZFBKQAZ-UHFFFAOYSA-N
Compound name
2-oxaspiro[4.4]nonane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

279
Patents

154.06299 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 129.8
[M+Na]+ 177.05221 137.7
[M-H]- 153.05571 136.2
[M+NH4]+ 172.09681 155.1
[M+K]+ 193.02615 137.6
[M+H-H2O]+ 137.06025 126.2
[M+HCOO]- 199.06119 151.9
[M+CH3COO]- 213.07684 171.1
[M+Na-2H]- 175.03766 134.4
[M]+ 154.06244 127.5
[M]- 154.06354 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe