CID 293810

2-amino-4-methylthiophene-3-carboxamide

Structural Information

Molecular Formula
C6H8N2OS
SMILES
CC1=CSC(=C1C(=O)N)N
InChI
InChI=1S/C6H8N2OS/c1-3-2-10-6(8)4(3)5(7)9/h2H,8H2,1H3,(H2,7,9)
InChIKey
AXLIJQRGPVJGSO-UHFFFAOYSA-N
Compound name
2-amino-4-methylthiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

147
Patents

156.03574 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04302 130.4
[M+Na]+ 179.02496 139.2
[M-H]- 155.02846 134.0
[M+NH4]+ 174.06956 152.9
[M+K]+ 194.99890 136.7
[M+H-H2O]+ 139.03300 125.0
[M+HCOO]- 201.03394 151.2
[M+CH3COO]- 215.04959 178.9
[M+Na-2H]- 177.01041 130.7
[M]+ 156.03519 129.4
[M]- 156.03629 129.4
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