CID 34829

Benzo(b)thiophene-3-ethylamine, 5-methoxy-

Structural Information

Molecular Formula

C₁₁H₁₃NOS

SMILES

COC1=CC2=C(C=C1)SC=C2CCN

InChI

InChI=1S/C11H13NOS/c1-13-9-2-3-11-10(6-9)8(4-5-12)7-14-11/h2-3,6-7H,4-5,12H2,1H3

InChIKey

DRXBVGGVFBPVDT-UHFFFAOYSA-N

Compound name

2-(5-methoxy-1-benzothiophen-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 207.0718 Da
Monoisotopic Mass: 2.2
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]+	208.079076	142.2
[M+Na]+	230.061018	152.7
[M-H]-	206.064524	147.3
[M+NH4]+	225.105623	164.9
[M+K]+	246.034958	148.7
[M+H-H2O]+	190.069060	136.9
[M+HCOO]-	252.070001	163.7
[M+CH3COO]-	266.085651	186.7
[M+Na-2H]-	228.046466	146.1
[M]+	207.07125142	146.8
[M]-	207.07234858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe