CID 518993

3-aminothiophene-2-carboxamide

Structural Information

Molecular Formula
C5H6N2OS
SMILES
C1=CSC(=C1N)C(=O)N
InChI
InChI=1S/C5H6N2OS/c6-3-1-2-9-4(3)5(7)8/h1-2H,6H2,(H2,7,8)
InChIKey
BKDZTJNNXCNSCK-UHFFFAOYSA-N
Compound name
3-aminothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

374
Patents

142.02008 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02736 126.1
[M+Na]+ 165.00930 134.5
[M-H]- 141.01280 129.6
[M+NH4]+ 160.05390 148.9
[M+K]+ 180.98324 132.2
[M+H-H2O]+ 125.01734 120.6
[M+HCOO]- 187.01828 147.3
[M+CH3COO]- 201.03393 174.7
[M+Na-2H]- 162.99475 127.6
[M]+ 142.01953 124.4
[M]- 142.02063 124.4
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