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

50
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 126.9
[M+Na]+ 164.01406 135.9
[M-H]- 140.01756 130.9
[M+NH4]+ 159.05866 150.5
[M+K]+ 179.98800 133.9
[M+H-H2O]+ 124.02210 121.9
[M+HCOO]- 186.02304 147.5
[M+CH3COO]- 200.03869 173.4
[M+Na-2H]- 161.99951 128.4
[M]+ 141.02429 127.4
[M]- 141.02539 127.4
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