CID 390953

Nsc689206

Structural Information

Molecular Formula
C12H14O5
SMILES
COC(=O)C1=C(C2CCC1CC2=O)C(=O)OC
InChI
InChI=1S/C12H14O5/c1-16-11(14)9-6-3-4-7(8(13)5-6)10(9)12(15)17-2/h6-7H,3-5H2,1-2H3
InChIKey
GMFJSXCBEQLDGL-UHFFFAOYSA-N
Compound name
dimethyl 5-oxobicyclo[2.2.2]oct-2-ene-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.08412 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09140 149.7
[M+Na]+ 261.07334 155.0
[M-H]- 237.07684 146.9
[M+NH4]+ 256.11794 171.9
[M+K]+ 277.04728 154.6
[M+H-H2O]+ 221.08138 145.8
[M+HCOO]- 283.08232 161.5
[M+CH3COO]- 297.09797 197.0
[M+Na-2H]- 259.05879 157.6
[M]+ 238.08357 155.9
[M]- 238.08467 155.9
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.