CID 78208

4461-29-4

Structural Information

Molecular Formula
C6H7NOS
SMILES
C1=CSC(=C1)CC(=O)N
InChI
InChI=1S/C6H7NOS/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H2,7,8)
InChIKey
UUPZTFTUZUQRQT-UHFFFAOYSA-N
Compound name
2-thiophen-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1325
Patents

141.02484 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.03212 127.5
[M+Na]+ 164.01406 135.6
[M-H]- 140.01756 131.1
[M+NH4]+ 159.05866 150.7
[M+K]+ 179.98800 133.6
[M+H-H2O]+ 124.02210 122.1
[M+HCOO]- 186.02304 148.1
[M+CH3COO]- 200.03869 172.3
[M+Na-2H]- 161.99951 129.6
[M]+ 141.02429 127.6
[M]- 141.02539 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe