CID 3003348

Dimethone-anhydroselenide

Structural Information

Molecular Formula
C16H20O4Se
SMILES
CC1(CC2=C(C(=O)C1)[Se](=O)C3=C(O2)CC(CC3=O)(C)C)C
InChI
InChI=1S/C16H20O4Se/c1-15(2)5-9(17)13-11(7-15)20-12-8-16(3,4)6-10(18)14(12)21(13)19/h5-8H2,1-4H3
InChIKey
VYICXHJGPUYJJS-UHFFFAOYSA-N
Compound name
3,3,7,7-tetramethyl-10-oxo-2,4,6,8-tetrahydrophenoxaselenine-1,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.05267 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.05995 171.8
[M+Na]+ 379.04189 181.2
[M-H]- 355.04539 177.5
[M+NH4]+ 374.08649 192.2
[M+K]+ 395.01583 178.7
[M+H-H2O]+ 339.04993 165.6
[M+HCOO]- 401.05087 185.5
[M+CH3COO]- 415.06652 207.4
[M+Na-2H]- 377.02734 175.6
[M]+ 356.05212 172.2
[M]- 356.05322 172.2
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.