CID 77041

1,6-dioxaspiro[4.4]nonane-2,7-dione

Structural Information

Molecular Formula
C7H8O4
SMILES
C1CC2(CCC(=O)O2)OC1=O
InChI
InChI=1S/C7H8O4/c8-5-1-3-7(10-5)4-2-6(9)11-7/h1-4H2
InChIKey
VTQYOGUFKHVWOO-UHFFFAOYSA-N
Compound name
1,6-dioxaspiro[4.4]nonane-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

673
Patents

156.04225 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.049526 126.9
[M+Na]+ 179.031468 135.2
[M-H]- 155.034974 134.0
[M+NH4]+ 174.076073 150.8
[M+K]+ 195.005408 136.7
[M+H-H2O]+ 139.039510 123.9
[M+HCOO]- 201.040451 148.5
[M+CH3COO]- 215.056101 170.5
[M+Na-2H]- 177.016916 133.2
[M]+ 156.04170142 126.4
[M]- 156.04279858 126.4
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