CID 89118

1,4-dioxocane-5,8-dione

Structural Information

Molecular Formula
C6H8O4
SMILES
C1CC(=O)OCCOC1=O
InChI
InChI=1S/C6H8O4/c7-5-1-2-6(8)10-4-3-9-5/h1-4H2
InChIKey
LOWXIIGCOBSYKX-UHFFFAOYSA-N
Compound name
1,4-dioxocane-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3180
Patents

144.04225 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.049526 138.8
[M+Na]+ 167.031468 143.8
[M-H]- 143.034974 141.2
[M+NH4]+ 162.076073 147.3
[M+K]+ 183.005408 145.8
[M+H-H2O]+ 127.039510 135.7
[M+HCOO]- 189.040451 148.0
[M+CH3COO]- 203.056101 216.9
[M+Na-2H]- 165.016916 140.9
[M]+ 144.04170142 138.5
[M]- 144.04279858 138.5
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