CID 3012954

2-methyl-[1,2]selenazolo[5,4-b]pyridin-3-one

Structural Information

Molecular Formula
C7H6N2OSe
SMILES
CN1C(=O)C2=C([Se]1)N=CC=C2
InChI
InChI=1S/C7H6N2OSe/c1-9-7(10)5-3-2-4-8-6(5)11-9/h2-4H,1H3
InChIKey
QXQRZKSCDNMQRG-UHFFFAOYSA-N
Compound name
2-methyl-[1,2]selenazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

213.96452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.97180 137.4
[M+Na]+ 236.95374 149.4
[M-H]- 212.95724 140.0
[M+NH4]+ 231.99834 158.9
[M+K]+ 252.92768 146.3
[M+H-H2O]+ 196.96178 130.3
[M+HCOO]- 258.96272 161.6
[M+CH3COO]- 272.97837 152.0
[M+Na-2H]- 234.93919 145.0
[M]+ 213.96397 140.5
[M]- 213.96507 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.