CID 5238358

Bicyclo(4.2.2)dec-7-ene-9,10-dicarboxylic anhydride

Structural Information

Molecular Formula
C12H14O3
SMILES
C1CCC2C=CC(C1)C3C2C(=O)OC3=O
InChI
InChI=1S/C12H14O3/c13-11-9-7-3-1-2-4-8(6-5-7)10(9)12(14)15-11/h5-10H,1-4H2
InChIKey
URCPRWSOPFAFOE-UHFFFAOYSA-N
Compound name
4-oxatricyclo[5.4.2.02,6]tridec-12-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

206.0943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 137.5
[M+Na]+ 229.08352 138.5
[M-H]- 205.08702 137.5
[M+NH4]+ 224.12812 138.4
[M+K]+ 245.05746 138.6
[M+H-H2O]+ 189.09156 136.3
[M+HCOO]- 251.09250 137.6
[M+CH3COO]- 265.10815 137.1
[M+Na-2H]- 227.06897 135.7
[M]+ 206.09375 137.3
[M]- 206.09485 137.3
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

patents stripe