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 147.7
[M+Na]+ 202.02970 157.2
[M-H]- 178.03320 150.0
[M+NH4]+ 197.07430 167.0
[M+K]+ 218.00364 153.5
[M+H-H2O]+ 162.03774 135.9
[M+HCOO]- 224.03868 160.8
[M+CH3COO]- 238.05433 188.7
[M+Na-2H]- 200.01515 146.3
[M]+ 179.03993 142.3
[M]- 179.04103 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.