CID 588128

3-methylthiophene-2-carboxamide

Structural Information

Molecular Formula
C6H7NOS
SMILES
CC1=C(SC=C1)C(=O)N
InChI
InChI=1S/C6H7NOS/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H2,7,8)
InChIKey
QZDTWJRYMXQXBX-UHFFFAOYSA-N
Compound name
3-methylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

284
Patents

141.02484 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe