CID 8934591

2-amino-4h,5h,6h,7h-thieno[2,3-c]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C8H9N3S
SMILES
C1CNCC2=C1C(=C(S2)N)C#N
InChI
InChI=1S/C8H9N3S/c9-3-6-5-1-2-11-4-7(5)12-8(6)10/h11H,1-2,4,10H2
InChIKey
QTDAGJYOIHDOMP-UHFFFAOYSA-N
Compound name
2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

179.05171 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.058986 140.9
[M+Na]+ 202.040928 151.6
[M-H]- 178.044434 142.5
[M+NH4]+ 197.085533 160.2
[M+K]+ 218.014868 146.4
[M+H-H2O]+ 162.048970 129.1
[M+HCOO]- 224.049911 153.0
[M+CH3COO]- 238.065561 151.9
[M+Na-2H]- 200.026376 142.8
[M]+ 179.05116142 132.9
[M]- 179.05225858 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe