CID 11205757

Thiophene-3-carboxamide

Structural Information

Molecular Formula
C5H5NOS
SMILES
C1=CSC=C1C(=O)N
InChI
InChI=1S/C5H5NOS/c6-5(7)4-1-2-8-3-4/h1-3H,(H2,6,7)
InChIKey
DAUYIKBTMNZABP-UHFFFAOYSA-N
Compound name
thiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1420
Patents

127.009186 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.01646 123.6
[M+Na]+ 149.99840 133.3
[M+NH4]+ 145.04301 132.8
[M+K]+ 165.97234 128.2
[M-H]- 126.00191 125.5
[M+Na-2H]- 147.98385 128.7
[M]+ 127.00864 125.7
[M]- 127.00973 125.7
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