CID 3056615

3-thiopheneacetamide, alpha-2-propynyl-

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]+ 180.047756 147.7
[M+Na]+ 202.029698 157.2
[M-H]- 178.033204 150.0
[M+NH4]+ 197.074303 167.0
[M+K]+ 218.003638 153.5
[M+H-H2O]+ 162.037740 135.9
[M+HCOO]- 224.038681 160.8
[M+CH3COO]- 238.054331 188.7
[M+Na-2H]- 200.015146 146.3
[M]+ 179.03993142 142.3
[M]- 179.04102858 142.3
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.