CID 371755

Nsc646198

Structural Information

Molecular Formula
C14H16O3Se
SMILES
CCOC(=O)C1(CCCC1=O)[Se]C2=CC=CC=C2
InChI
InChI=1S/C14H16O3Se/c1-2-17-13(16)14(10-6-9-12(14)15)18-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKey
RMSARSBSDZTIQU-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-1-phenylselanylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.02646 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.03374 169.0
[M+Na]+ 335.01568 174.7
[M-H]- 311.01918 174.8
[M+NH4]+ 330.06028 189.0
[M+K]+ 350.98962 171.9
[M+H-H2O]+ 295.02372 162.2
[M+HCOO]- 357.02466 190.3
[M+CH3COO]- 371.04031 193.1
[M+Na-2H]- 333.00113 170.1
[M]+ 312.02591 169.2
[M]- 312.02701 169.2
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

No patent data available for this compound.