CID 3062031

80154-86-5

Structural Information

Molecular Formula

C₁₃H₁₅NS

SMILES

CC1=CC=C(C=C1)CC(C2=CC=CS2)N

InChI

InChI=1S/C13H15NS/c1-10-4-6-11(7-5-10)9-12(14)13-3-2-8-15-13/h2-8,12H,9,14H2,1H3

InChIKey

BEILLTZIRGNFFK-UHFFFAOYSA-N

Compound name

2-(4-methylphenyl)-1-thiophen-2-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 217.09251 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe