CID 371759

Nsc646202

Structural Information

Molecular Formula
C18H23NO2Se
SMILES
CCOC(C(C)[Se]C1=CC=CC=C1)OC2=C(CCCC2)C#N
InChI
InChI=1S/C18H23NO2Se/c1-3-20-18(14(2)22-16-10-5-4-6-11-16)21-17-12-8-7-9-15(17)13-19/h4-6,10-11,14,18H,3,7-9,12H2,1-2H3
InChIKey
ZDIDBRVXLHNHTB-UHFFFAOYSA-N
Compound name
2-(1-ethoxy-2-phenylselanylpropoxy)cyclohexene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0894 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09668 184.6
[M+Na]+ 388.07862 189.9
[M-H]- 364.08212 188.2
[M+NH4]+ 383.12322 197.0
[M+K]+ 404.05256 184.6
[M+H-H2O]+ 348.08666 169.5
[M+HCOO]- 410.08760 199.1
[M+CH3COO]- 424.10325 217.4
[M+Na-2H]- 386.06407 183.6
[M]+ 365.08885 179.3
[M]- 365.08995 179.3
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

No patent data available for this compound.