CID 3056614

73812-57-4

Structural Information

Molecular Formula
C8H11NOS
SMILES
CCC(C1=CSC=C1)C(=O)N
InChI
InChI=1S/C8H11NOS/c1-2-7(8(9)10)6-3-4-11-5-6/h3-5,7H,2H2,1H3,(H2,9,10)
InChIKey
HPMAYLPTWNTYLC-UHFFFAOYSA-N
Compound name
2-thiophen-3-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

169.05614 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06342 136.9
[M+Na]+ 192.04536 145.6
[M+NH4]+ 187.08996 145.5
[M+K]+ 208.01930 140.6
[M-H]- 168.04886 138.4
[M+Na-2H]- 190.03081 140.9
[M]+ 169.05559 138.8
[M]- 169.05669 138.8
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

patents stripe