CID 2776332

203436-48-0

Structural Information

Molecular Formula
C11H11NS
SMILES
C1=CSC(=C1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2
InChIKey
YKNLMMDEWQZCLJ-UHFFFAOYSA-N
Compound name
(4-thiophen-2-ylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

156
Patents

189.06122 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06850 139.3
[M+Na]+ 212.05044 152.2
[M+NH4]+ 207.09504 149.9
[M+K]+ 228.02438 144.2
[M-H]- 188.05394 145.0
[M+Na-2H]- 210.03589 148.1
[M]+ 189.06067 143.3
[M]- 189.06177 143.3
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