CID 290223

2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Structural Information

Molecular Formula
C9H12N2OS
SMILES
C1CCC2=C(C1)C(=C(S2)N)C(=O)N
InChI
InChI=1S/C9H12N2OS/c10-8(12)7-5-3-1-2-4-6(5)13-9(7)11/h1-4,11H2,(H2,10,12)
InChIKey
FFAKFORHXDNYEN-UHFFFAOYSA-N
Compound name
2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

98
Patents

196.06703 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.074306 139.8
[M+Na]+ 219.056248 146.9
[M-H]- 195.059754 143.4
[M+NH4]+ 214.100853 161.6
[M+K]+ 235.030188 143.6
[M+H-H2O]+ 179.064290 134.6
[M+HCOO]- 241.065231 156.9
[M+CH3COO]- 255.080881 186.1
[M+Na-2H]- 217.041696 140.5
[M]+ 196.06648142 136.4
[M]- 196.06757858 136.4
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