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

377
Patents

142.02008 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.027356 126.1
[M+Na]+ 165.009298 134.5
[M-H]- 141.012804 129.6
[M+NH4]+ 160.053903 148.9
[M+K]+ 180.983238 132.2
[M+H-H2O]+ 125.017340 120.6
[M+HCOO]- 187.018281 147.3
[M+CH3COO]- 201.033931 174.7
[M+Na-2H]- 162.994746 127.6
[M]+ 142.01953142 124.4
[M]- 142.02062858 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