CID 3062039

80154-90-1

Structural Information

Molecular Formula

C₁₃H₁₅NOS

SMILES

COC1=CC=C(C=C1)CC(C2=CC=CS2)N

InChI

InChI=1S/C13H15NOS/c1-15-11-6-4-10(5-7-11)9-12(14)13-3-2-8-16-13/h2-8,12H,9,14H2,1H3

InChIKey

MCOBRMBKOUUEDM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 233.08743 Da
Monoisotopic Mass: 2.5
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]+	234.09471	151.8
[M+Na]+	256.07665	163.3
[M+NH4]+	251.12125	161.3
[M+K]+	272.05059	156.2
[M-H]-	232.08015	156.6
[M+Na-2H]-	254.06210	159.3
[M]+	233.08688	155.3
[M]-	233.08798	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe