CID 3056615

73812-58-5

Structural Information

Molecular Formula
C9H9NOS
SMILES
C#CCC(C1=CSC=C1)C(=O)N
InChI
InChI=1S/C9H9NOS/c1-2-3-8(9(10)11)7-4-5-12-6-7/h1,4-6,8H,3H2,(H2,10,11)
InChIKey
HZCQSZUXZCEYCQ-UHFFFAOYSA-N
Compound name
2-thiophen-3-ylpent-4-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.04048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04776 135.6
[M+Na]+ 202.02970 144.5
[M+NH4]+ 197.07430 140.3
[M+K]+ 218.00364 136.7
[M-H]- 178.03320 129.0
[M+Na-2H]- 200.01515 137.1
[M]+ 179.03993 134.4
[M]- 179.04103 134.4
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

No patent data available for this compound.