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

89
Patents

141.02484 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.032116 126.9
[M+Na]+ 164.014058 135.9
[M-H]- 140.017564 130.9
[M+NH4]+ 159.058663 150.5
[M+K]+ 179.987998 133.9
[M+H-H2O]+ 124.022100 121.9
[M+HCOO]- 186.023041 147.5
[M+CH3COO]- 200.038691 173.4
[M+Na-2H]- 161.999506 128.4
[M]+ 141.02429142 127.4
[M]- 141.02538858 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