CID 20678887

2-amino-n-methylthiophene-3-carboxamide

Structural Information

Molecular Formula
C6H8N2OS
SMILES
CNC(=O)C1=C(SC=C1)N
InChI
InChI=1S/C6H8N2OS/c1-8-6(9)4-2-3-10-5(4)7/h2-3H,7H2,1H3,(H,8,9)
InChIKey
NQJGYNPZZDGYRM-UHFFFAOYSA-N
Compound name
2-amino-N-methylthiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

156.03574 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04302 130.6
[M+Na]+ 179.02496 138.7
[M-H]- 155.02846 134.5
[M+NH4]+ 174.06956 153.2
[M+K]+ 194.99890 136.5
[M+H-H2O]+ 139.03300 124.9
[M+HCOO]- 201.03394 152.1
[M+CH3COO]- 215.04959 177.7
[M+Na-2H]- 177.01041 132.6
[M]+ 156.03519 130.2
[M]- 156.03629 130.2
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