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

410
Patents

141.02484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.032116 127.3
[M+Na]+ 164.014058 135.5
[M-H]- 140.017564 131.6
[M+NH4]+ 159.058663 151.0
[M+K]+ 179.987998 134.0
[M+H-H2O]+ 124.022100 122.0
[M+HCOO]- 186.023041 148.6
[M+CH3COO]- 200.038691 172.3
[M+Na-2H]- 161.999506 130.5
[M]+ 141.02429142 128.4
[M]- 141.02538858 128.4
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