CID 380724

16219-84-4

Structural Information

Molecular Formula
C13H14O4
SMILES
COC(=O)C1=C(C2C3C1C4C2C4C3)C(=O)OC
InChI
InChI=1S/C13H14O4/c1-16-12(14)10-8-5-3-4-6(8)7(4)9(5)11(10)13(15)17-2/h4-9H,3H2,1-2H3
InChIKey
YZQAUJSISPRMIU-UHFFFAOYSA-N
Compound name
dimethyl tetracyclo[4.3.0.02,4.03,7]non-8-ene-8,9-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0892 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.096476 146.7
[M+Na]+ 257.078418 156.6
[M-H]- 233.081924 152.1
[M+NH4]+ 252.123023 170.7
[M+K]+ 273.052358 152.3
[M+H-H2O]+ 217.086460 145.7
[M+HCOO]- 279.087401 163.9
[M+CH3COO]- 293.103051 160.0
[M+Na-2H]- 255.063866 147.4
[M]+ 234.08865142 159.0
[M]- 234.08974858 159.0
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.