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]+ 226.126006 155.0
[M+Na]+ 248.107948 160.9
[M-H]- 224.111454 157.9
[M+NH4]+ 243.152553 175.0
[M+K]+ 264.081888 157.9
[M+H-H2O]+ 208.115990 149.2
[M+HCOO]- 270.116931 172.2
[M+CH3COO]- 284.132581 190.7
[M+Na-2H]- 246.093396 155.0
[M]+ 225.11818142 156.8
[M]- 225.11927858 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.