CID 3062027

80154-84-3

Structural Information

Molecular Formula
C13H15NS
SMILES
CC1=CC(=CC=C1)CC(C2=CC=CS2)N
InChI
InChI=1S/C13H15NS/c1-10-4-2-5-11(8-10)9-12(14)13-6-3-7-15-13/h2-8,12H,9,14H2,1H3
InChIKey
RKMSFLOTCGLCQZ-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)-1-thiophen-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.09251 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.099786 148.6
[M+Na]+ 240.081728 156.1
[M-H]- 216.085234 155.3
[M+NH4]+ 235.126333 169.1
[M+K]+ 256.055668 151.8
[M+H-H2O]+ 200.089770 142.2
[M+HCOO]- 262.090711 168.4
[M+CH3COO]- 276.106361 188.9
[M+Na-2H]- 238.067176 149.2
[M]+ 217.09196142 148.7
[M]- 217.09305858 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.