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 132.6
[M+Na]+ 203.02496 145.2
[M-H]- 179.02846 135.9
[M+NH4]+ 198.06956 154.6
[M+K]+ 218.99890 140.3
[M+H-H2O]+ 163.03300 127.7
[M+HCOO]- 225.03394 152.5
[M+CH3COO]- 239.04959 147.2
[M+Na-2H]- 201.01041 136.8
[M]+ 180.03519 134.6
[M]- 180.03629 134.6
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