CID 12260765

3-amino-thieno[2,3-b]pyridine-2-carbonitrile

Structural Information

Molecular Formula
C8H5N3S
SMILES
C1=CC2=C(N=C1)SC(=C2N)C#N
InChI
InChI=1S/C8H5N3S/c9-4-6-7(10)5-2-1-3-11-8(5)12-6/h1-3H,10H2
InChIKey
ZQNCIBNZNGNNOL-UHFFFAOYSA-N
Compound name
3-aminothieno[2,3-b]pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

175.02042 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.027696 140.2
[M+Na]+ 198.009638 154.0
[M-H]- 174.013144 143.8
[M+NH4]+ 193.054243 160.4
[M+K]+ 213.983578 149.0
[M+H-H2O]+ 158.017680 127.9
[M+HCOO]- 220.018621 157.4
[M+CH3COO]- 234.034271 153.1
[M+Na-2H]- 195.995086 144.6
[M]+ 175.01987142 137.4
[M]- 175.02096858 137.4
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