CID 819552

N-methylthiophene-2-carboxamide

Structural Information

Molecular Formula
C6H7NOS
SMILES
CNC(=O)C1=CC=CS1
InChI
InChI=1S/C6H7NOS/c1-7-6(8)5-3-2-4-9-5/h2-4H,1H3,(H,7,8)
InChIKey
JNUIOYAYNFFHTC-UHFFFAOYSA-N
Compound name
N-methylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

372
Patents

141.02484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.03212 128.2
[M+Na]+ 164.01406 138.1
[M+NH4]+ 159.05866 137.4
[M+K]+ 179.98800 132.4
[M-H]- 140.01756 130.2
[M+Na-2H]- 161.99951 133.5
[M]+ 141.02429 130.4
[M]- 141.02539 130.4
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