CID 371751

Nsc646194

Structural Information

Molecular Formula
C19H25NO2Se
SMILES
CCC(C(OCC)OC1=C(CCCC1)C#N)[Se]C2=CC=CC=C2
InChI
InChI=1S/C19H25NO2Se/c1-3-18(23-16-11-6-5-7-12-16)19(21-4-2)22-17-13-9-8-10-15(17)14-20/h5-7,11-12,18-19H,3-4,8-10,13H2,1-2H3
InChIKey
OXDYHZVUZBXYTA-UHFFFAOYSA-N
Compound name
2-(1-ethoxy-2-phenylselanylbutoxy)cyclohexene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.10504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.11232 188.5
[M+Na]+ 402.09426 193.4
[M-H]- 378.09776 191.9
[M+NH4]+ 397.13886 200.4
[M+K]+ 418.06820 187.9
[M+H-H2O]+ 362.10230 173.3
[M+HCOO]- 424.10324 202.7
[M+CH3COO]- 438.11889 220.0
[M+Na-2H]- 400.07971 187.0
[M]+ 379.10449 183.5
[M]- 379.10559 183.5
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.