CID 3056600

3-thiopheneacetamide, alpha-pentyl-

Structural Information

Molecular Formula
C11H17NOS
SMILES
CCCCCC(C1=CSC=C1)C(=O)N
InChI
InChI=1S/C11H17NOS/c1-2-3-4-5-10(11(12)13)9-6-7-14-8-9/h6-8,10H,2-5H2,1H3,(H2,12,13)
InChIKey
RMJPPSBVWFXIFV-UHFFFAOYSA-N
Compound name
2-thiophen-3-ylheptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.10309 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.110366 150.8
[M+Na]+ 234.092308 156.3
[M-H]- 210.095814 153.6
[M+NH4]+ 229.136913 171.1
[M+K]+ 250.066248 153.6
[M+H-H2O]+ 194.100350 144.5
[M+HCOO]- 256.101291 168.7
[M+CH3COO]- 270.116941 188.2
[M+Na-2H]- 232.077756 149.2
[M]+ 211.10254142 152.0
[M]- 211.10363858 152.0
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.