CID 5382781

Nsc151719

Structural Information

Molecular Formula
C13H18O5
SMILES
COC(=O)C/1C(=O)CCCCC/C=C1/C(=O)OC
InChI
InChI=1S/C13H18O5/c1-17-12(15)9-7-5-3-4-6-8-10(14)11(9)13(16)18-2/h7,11H,3-6,8H2,1-2H3/b9-7+
InChIKey
RVUTWNXVYDDMRP-VQHVLOKHSA-N
Compound name
dimethyl (2E)-9-oxocyclonon-2-ene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11542 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12270 193.7
[M+Na]+ 277.10464 195.0
[M-H]- 253.10814 193.4
[M+NH4]+ 272.14924 193.6
[M+K]+ 293.07858 193.0
[M+H-H2O]+ 237.11268 184.8
[M+HCOO]- 299.11362 194.3
[M+CH3COO]- 313.12927 194.9
[M+Na-2H]- 275.09009 195.9
[M]+ 254.11487 193.8
[M]- 254.11597 193.8
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.