CID 3012956

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

Structural Information

Molecular Formula
C10H12N2OSe
SMILES
CC(C)(C)N1C(=O)C2=C([Se]1)N=CC=C2
InChI
InChI=1S/C10H12N2OSe/c1-10(2,3)12-9(13)7-5-4-6-11-8(7)14-12/h4-6H,1-3H3
InChIKey
YRKOMWQWKKQJTL-UHFFFAOYSA-N
Compound name
2-tert-butyl-[1,2]selenazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.01147 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01875 153.2
[M+Na]+ 279.00069 164.4
[M-H]- 255.00419 155.8
[M+NH4]+ 274.04529 173.3
[M+K]+ 294.97463 161.0
[M+H-H2O]+ 239.00873 146.2
[M+HCOO]- 301.00967 174.7
[M+CH3COO]- 315.02532 185.3
[M+Na-2H]- 276.98614 159.9
[M]+ 256.01092 156.8
[M]- 256.01202 156.8
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.