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]+ 255.122696 193.7
[M+Na]+ 277.104638 195.0
[M-H]- 253.108144 193.4
[M+NH4]+ 272.149243 193.6
[M+K]+ 293.078578 193.0
[M+H-H2O]+ 237.112680 184.8
[M+HCOO]- 299.113621 194.3
[M+CH3COO]- 313.129271 194.9
[M+Na-2H]- 275.090086 195.9
[M]+ 254.11487142 193.8
[M]- 254.11596858 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.