CID 44426098

Chembl229009

Structural Information

Molecular Formula
C8H9NOS
SMILES
CC(=O)N/C=C/C1=CSC=C1
InChI
InChI=1S/C8H9NOS/c1-7(10)9-4-2-8-3-5-11-6-8/h2-6H,1H3,(H,9,10)/b4-2+
InChIKey
MFVLWNSCZZSPEW-DUXPYHPUSA-N
Compound name
N-[(E)-2-thiophen-3-ylethenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

167.04048 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04776 135.8
[M+Na]+ 190.02970 143.5
[M-H]- 166.03320 139.8
[M+NH4]+ 185.07430 158.4
[M+K]+ 206.00364 140.9
[M+H-H2O]+ 150.03774 130.2
[M+HCOO]- 212.03868 156.7
[M+CH3COO]- 226.05433 176.8
[M+Na-2H]- 188.01515 137.9
[M]+ 167.03993 136.8
[M]- 167.04103 136.8
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

No patent data available for this compound.