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 131.7
[M+Na]+ 179.02496 140.2
[M+NH4]+ 174.06956 140.1
[M+K]+ 194.99890 135.5
[M-H]- 155.02846 133.7
[M+Na-2H]- 177.01041 136.0
[M]+ 156.03519 133.6
[M]- 156.03629 133.6
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