CID 13839210

106670-25-1

Structural Information

Molecular Formula

C₁₃H₁₅NS

SMILES

C1=CC=C2C(=C1)C=CC=C2CSCCN

InChI

InChI=1S/C13H15NS/c14-8-9-15-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,14H2

InChIKey

YSIYYYWNPCHYKN-UHFFFAOYSA-N

Compound name

2-(naphthalen-1-ylmethylsulfanyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 217.09251 Da
Monoisotopic Mass: 2.8
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]+	218.099786	145.1
[M+Na]+	240.081728	152.8
[M-H]-	216.085234	149.0
[M+NH4]+	235.126333	165.0
[M+K]+	256.055668	147.7
[M+H-H2O]+	200.089770	138.9
[M+HCOO]-	262.090711	163.6
[M+CH3COO]-	276.106361	157.6
[M+Na-2H]-	238.067176	150.4
[M]+	217.09196142	146.3
[M]-	217.09305858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe