CID 3012963

2,7-dimethyl-[1,2]selenazolo[5,4-b]pyridin-7-ium-3-one

Structural Information

Molecular Formula
C8H9N2OSe
SMILES
CN1C(=O)C2=C([Se]1)[N+](=CC=C2)C
InChI
InChI=1S/C8H9N2OSe/c1-9-5-3-4-6-7(11)10(2)12-8(6)9/h3-5H,1-2H3/q+1
InChIKey
NFFQZOQKRKIOSR-UHFFFAOYSA-N
Compound name
2,7-dimethyl-[1,2]selenazolo[5,4-b]pyridin-7-ium-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.988 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.99528 143.0
[M+Na]+ 251.97722 155.3
[M-H]- 227.98072 146.2
[M+NH4]+ 247.02182 164.0
[M+K]+ 267.95116 146.6
[M+H-H2O]+ 211.98526 138.7
[M+HCOO]- 273.98620 166.5
[M+CH3COO]- 288.00185 174.1
[M+Na-2H]- 249.96267 151.8
[M]+ 228.98745 145.5
[M]- 228.98855 145.5
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.