CID 14249932

118487-71-1

Structural Information

Molecular Formula
C8H8N2OS
SMILES
CC1=C2C(=C(C(=O)N1)N)C=CS2
InChI
InChI=1S/C8H8N2OS/c1-4-7-5(2-3-12-7)6(9)8(11)10-4/h2-3H,9H2,1H3,(H,10,11)
InChIKey
FOWSNMAFJJYSCL-UHFFFAOYSA-N
Compound name
4-amino-7-methyl-6H-thieno[2,3-c]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

180.03574 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04302 134.0
[M+Na]+ 203.02496 146.8
[M+NH4]+ 198.06956 143.1
[M+K]+ 218.99890 140.6
[M-H]- 179.02846 136.2
[M+Na-2H]- 201.01041 139.5
[M]+ 180.03519 136.8
[M]- 180.03629 136.8
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