CID 2794681

3-(thiophen-2-yl)aniline

Structural Information

Molecular Formula
C10H9NS
SMILES
C1=CC(=CC(=C1)N)C2=CC=CS2
InChI
InChI=1S/C10H9NS/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7H,11H2
InChIKey
YUTPSMJOCLLMBK-UHFFFAOYSA-N
Compound name
3-thiophen-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

175.04558 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05286 134.3
[M+Na]+ 198.03480 143.5
[M-H]- 174.03830 141.5
[M+NH4]+ 193.07940 156.6
[M+K]+ 214.00874 139.5
[M+H-H2O]+ 158.04284 128.5
[M+HCOO]- 220.04378 156.2
[M+CH3COO]- 234.05943 148.7
[M+Na-2H]- 196.02025 137.6
[M]+ 175.04503 134.0
[M]- 175.04613 134.0
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