CID 371747

Nsc646190

Structural Information

Molecular Formula
C19H26O4Se
SMILES
CCOC(C(C)[Se]C1=CC=CC=C1)OC2=C(CCC2)C(=O)OCC
InChI
InChI=1S/C19H26O4Se/c1-4-21-18(20)16-12-9-13-17(16)23-19(22-5-2)14(3)24-15-10-7-6-8-11-15/h6-8,10-11,14,19H,4-5,9,12-13H2,1-3H3
InChIKey
RJECTXCWUJKPHL-UHFFFAOYSA-N
Compound name
ethyl 2-(1-ethoxy-2-phenylselanylpropoxy)cyclopentene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.09964 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.10692 195.9
[M+Na]+ 421.08886 198.3
[M-H]- 397.09236 200.9
[M+NH4]+ 416.13346 210.2
[M+K]+ 437.06280 196.3
[M+H-H2O]+ 381.09690 187.3
[M+HCOO]- 443.09784 214.9
[M+CH3COO]- 457.11349 212.6
[M+Na-2H]- 419.07431 191.7
[M]+ 398.09909 199.8
[M]- 398.10019 199.8
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.