CID 371756

Nsc646199

Structural Information

Molecular Formula
C14H22O2Se
SMILES
CCC(C(OCC)OCC)[Se]C1=CC=CC=C1
InChI
InChI=1S/C14H22O2Se/c1-4-13(14(15-5-2)16-6-3)17-12-10-8-7-9-11-12/h7-11,13-14H,4-6H2,1-3H3
InChIKey
GLSPLBKTSFKIMR-UHFFFAOYSA-N
Compound name
1,1-diethoxybutan-2-ylselanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0785 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08578 171.6
[M+Na]+ 325.06772 175.4
[M-H]- 301.07122 173.7
[M+NH4]+ 320.11232 188.6
[M+K]+ 341.04166 173.7
[M+H-H2O]+ 285.07576 164.0
[M+HCOO]- 347.07670 191.9
[M+CH3COO]- 361.09235 197.4
[M+Na-2H]- 323.05317 172.7
[M]+ 302.07795 175.3
[M]- 302.07905 175.3
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.