CID 371753

Nsc646196

Structural Information

Molecular Formula
C16H22O2Se
SMILES
CCOC(C(C)[Se]C1=CC=CC=C1)OC2=CCCC2
InChI
InChI=1S/C16H22O2Se/c1-3-17-16(18-14-9-7-8-10-14)13(2)19-15-11-5-4-6-12-15/h4-6,9,11-13,16H,3,7-8,10H2,1-2H3
InChIKey
MIRPPMPAFXJOPI-UHFFFAOYSA-N
Compound name
[1-(cyclopenten-1-yloxy)-1-ethoxypropan-2-yl]selanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0785 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08578 177.6
[M+Na]+ 349.06772 180.5
[M-H]- 325.07122 182.5
[M+NH4]+ 344.11232 194.7
[M+K]+ 365.04166 178.0
[M+H-H2O]+ 309.07576 169.3
[M+HCOO]- 371.07670 197.9
[M+CH3COO]- 385.09235 199.3
[M+Na-2H]- 347.05317 176.6
[M]+ 326.07795 178.5
[M]- 326.07905 178.5
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.