CID 21837037

2-methylthiophene-3-carboxamide

Structural Information

Molecular Formula
C6H7NOS
SMILES
CC1=C(C=CS1)C(=O)N
InChI
InChI=1S/C6H7NOS/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H2,7,8)
InChIKey
ZDEWSZZMQVGWCA-UHFFFAOYSA-N
Compound name
2-methylthiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

141.02484 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.03212 127.9
[M+Na]+ 164.01406 137.8
[M+NH4]+ 159.05866 137.0
[M+K]+ 179.98800 132.7
[M-H]- 140.01756 129.8
[M+Na-2H]- 161.99951 132.6
[M]+ 141.02429 130.1
[M]- 141.02539 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe