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]+ 218.09979 148.5
[M+Na]+ 240.08173 160.5
[M+NH4]+ 235.12633 158.5
[M+K]+ 256.05567 152.8
[M-H]- 216.08523 153.8
[M+Na-2H]- 238.06718 156.4
[M]+ 217.09196 152.2
[M]- 217.09306 152.2
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.