CID 3056608

3-thiopheneacetamide, alpha,alpha-dipropyl-

Structural Information

Molecular Formula
C12H19NOS
SMILES
CCCC(CCC)(C1=CSC=C1)C(=O)N
InChI
InChI=1S/C12H19NOS/c1-3-6-12(7-4-2,11(13)14)10-5-8-15-9-10/h5,8-9H,3-4,6-7H2,1-2H3,(H2,13,14)
InChIKey
BCTQRSHTACLZAN-UHFFFAOYSA-N
Compound name
2-propyl-2-thiophen-3-ylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11873 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12601 155.0
[M+Na]+ 248.10795 160.9
[M-H]- 224.11145 157.9
[M+NH4]+ 243.15255 175.0
[M+K]+ 264.08189 157.9
[M+H-H2O]+ 208.11599 149.2
[M+HCOO]- 270.11693 172.2
[M+CH3COO]- 284.13258 190.7
[M+Na-2H]- 246.09340 155.0
[M]+ 225.11818 156.8
[M]- 225.11928 156.8
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.