CID 34251

Brn 1372711

Structural Information

Molecular Formula

C₁₃H₁₇NOS

SMILES

CN(C)CCC1=CSC2=C1C=C(C=C2)OC

InChI

InChI=1S/C13H17NOS/c1-14(2)7-6-10-9-16-13-5-4-11(15-3)8-12(10)13/h4-5,8-9H,6-7H2,1-3H3

InChIKey

IZHVFYGQUDZDBH-UHFFFAOYSA-N

Compound name

2-(5-methoxy-1-benzothiophen-3-yl)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 235.10309 Da
Monoisotopic Mass: 3.2
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]+	236.11037	151.7
[M+Na]+	258.09231	164.4
[M+NH4]+	253.13691	161.8
[M+K]+	274.06625	156.6
[M-H]-	234.09581	155.8
[M+Na-2H]-	256.07776	158.2
[M]+	235.10254	155.3
[M]-	235.10364	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe