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]+ 212.11037 150.8
[M+Na]+ 234.09231 156.3
[M-H]- 210.09581 153.6
[M+NH4]+ 229.13691 171.1
[M+K]+ 250.06625 153.6
[M+H-H2O]+ 194.10035 144.5
[M+HCOO]- 256.10129 168.7
[M+CH3COO]- 270.11694 188.2
[M+Na-2H]- 232.07776 149.2
[M]+ 211.10254 152.0
[M]- 211.10364 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.