CID 4130336

4-(thiophen-3-yl)aniline

Structural Information

Molecular Formula
C10H9NS
SMILES
C1=CC(=CC=C1C2=CSC=C2)N
InChI
InChI=1S/C10H9NS/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7H,11H2
InChIKey
GYPDHLDQINBFPY-UHFFFAOYSA-N
Compound name
4-thiophen-3-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

167
Patents

175.04558 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05286 134.9
[M+Na]+ 198.03480 147.9
[M+NH4]+ 193.07940 145.6
[M+K]+ 214.00874 140.2
[M-H]- 174.03830 140.5
[M+Na-2H]- 196.02025 143.9
[M]+ 175.04503 138.9
[M]- 175.04613 138.9
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