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

10
Patents

179.05171 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05899 140.9
[M+Na]+ 202.04093 151.6
[M-H]- 178.04443 142.5
[M+NH4]+ 197.08553 160.2
[M+K]+ 218.01487 146.4
[M+H-H2O]+ 162.04897 129.1
[M+HCOO]- 224.04991 153.0
[M+CH3COO]- 238.06556 151.9
[M+Na-2H]- 200.02638 142.8
[M]+ 179.05116 132.9
[M]- 179.05226 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