CID 371746

Nsc646189

Structural Information

Molecular Formula
C17H21NO2Se
SMILES
CCOC(C(C)[Se]C1=CC=CC=C1)OC2=C(CCC2)C#N
InChI
InChI=1S/C17H21NO2Se/c1-3-19-17(20-16-11-7-8-14(16)12-18)13(2)21-15-9-5-4-6-10-15/h4-6,9-10,13,17H,3,7-8,11H2,1-2H3
InChIKey
MNNWYHBJQJBBTO-UHFFFAOYSA-N
Compound name
2-(1-ethoxy-2-phenylselanylpropoxy)cyclopentene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.07376 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08104 182.5
[M+Na]+ 374.06298 189.1
[M-H]- 350.06648 186.6
[M+NH4]+ 369.10758 197.2
[M+K]+ 390.03692 183.8
[M+H-H2O]+ 334.07102 167.8
[M+HCOO]- 396.07196 199.2
[M+CH3COO]- 410.08761 214.3
[M+Na-2H]- 372.04843 180.6
[M]+ 351.07321 178.9
[M]- 351.07431 178.9
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.