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]+ 235.09648 146.7
[M+Na]+ 257.07842 156.6
[M-H]- 233.08192 152.1
[M+NH4]+ 252.12302 170.7
[M+K]+ 273.05236 152.3
[M+H-H2O]+ 217.08646 145.7
[M+HCOO]- 279.08740 163.9
[M+CH3COO]- 293.10305 160.0
[M+Na-2H]- 255.06387 147.4
[M]+ 234.08865 159.0
[M]- 234.08975 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.