CID 335613

C-phenyl-c-thiophen-2-yl-methylamine hydrochloride

Structural Information

Molecular Formula
C11H11NS
SMILES
C1=CC=C(C=C1)C(C2=CC=CS2)N
InChI
InChI=1S/C11H11NS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8,11H,12H2
InChIKey
MUAFFFYJFXPGHN-UHFFFAOYSA-N
Compound name
phenyl(thiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

189.06122 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06850 139.5
[M+Na]+ 212.05044 151.6
[M+NH4]+ 207.09504 150.0
[M+K]+ 228.02438 144.3
[M-H]- 188.05394 144.9
[M+Na-2H]- 210.03589 148.2
[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

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