CID 475803

Chembl5517779

Structural Information

Molecular Formula
C5H8N2Se
SMILES
CN1C=CN(C1=[Se])C
InChI
InChI=1S/C5H8N2Se/c1-6-3-4-7(2)5(6)8/h3-4H,1-2H3
InChIKey
PQKUSNASLKWMDE-UHFFFAOYSA-N
Compound name
1,3-dimethylimidazole-2-selone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

175.98528 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99256 131.4
[M+Na]+ 198.97450 141.8
[M-H]- 174.97800 132.6
[M+NH4]+ 194.01910 153.4
[M+K]+ 214.94844 139.9
[M+H-H2O]+ 158.98254 124.7
[M+HCOO]- 220.98348 154.5
[M+CH3COO]- 234.99913 171.6
[M+Na-2H]- 196.95995 136.1
[M]+ 175.98473 132.0
[M]- 175.98583 132.0
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