CID 6335195

6-selenopurine

Structural Information

Molecular Formula
C5H3N4Se
SMILES
C1=NC2=C(N1)C(=NC=N2)[Se]
InChI
InChI=1S/C5H3N4Se/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H,6,7,8,9)
InChIKey
WEYNDYJSYBXGDQ-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

198.95229 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.95957 133.4
[M+Na]+ 221.94151 147.4
[M+NH4]+ 216.98611 141.1
[M+K]+ 237.91545 142.7
[M-H]- 197.94501 133.2
[M+Na-2H]- 219.92696 140.0
[M]+ 198.95174 135.2
[M]- 198.95284 135.2
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

patents stripe