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

19
Patents

156.03574 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.043016 130.6
[M+Na]+ 179.024958 138.7
[M-H]- 155.028464 134.5
[M+NH4]+ 174.069563 153.2
[M+K]+ 194.998898 136.5
[M+H-H2O]+ 139.033000 124.9
[M+HCOO]- 201.033941 152.1
[M+CH3COO]- 215.049591 177.7
[M+Na-2H]- 177.010406 132.6
[M]+ 156.03519142 130.2
[M]- 156.03628858 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