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

3
Patents

169.05614 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.063416 137.3
[M+Na]+ 192.045358 144.2
[M-H]- 168.048864 140.6
[M+NH4]+ 187.089963 159.3
[M+K]+ 208.019298 142.2
[M+H-H2O]+ 152.053400 131.6
[M+HCOO]- 214.054341 156.1
[M+CH3COO]- 228.069991 179.2
[M+Na-2H]- 190.030806 137.2
[M]+ 169.05559142 137.5
[M]- 169.05668858 137.5
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