CID 230030

5460-98-0

Structural Information

Molecular Formula
C14H18O5
SMILES
C=CCOC(=O)C1CC2C(O2)CC1C(=O)OCC=C
InChI
InChI=1S/C14H18O5/c1-3-5-17-13(15)9-7-11-12(19-11)8-10(9)14(16)18-6-4-2/h3-4,9-12H,1-2,5-8H2
InChIKey
CATDJXLIBJDBGK-UHFFFAOYSA-N
Compound name
bis(prop-2-enyl) 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

266.11542 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12270 161.4
[M+Na]+ 289.10464 169.1
[M-H]- 265.10814 166.6
[M+NH4]+ 284.14924 173.0
[M+K]+ 305.07858 166.8
[M+H-H2O]+ 249.11268 155.0
[M+HCOO]- 311.11362 178.5
[M+CH3COO]- 325.12927 199.9
[M+Na-2H]- 287.09009 163.5
[M]+ 266.11487 167.2
[M]- 266.11597 167.2
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