CID 23336572

2344685-83-0

Structural Information

Molecular Formula

C₁₀H₁₃NS

SMILES

CSC1=CC=CC2=C1CNCC2

InChI

InChI=1S/C10H13NS/c1-12-10-4-2-3-8-5-6-11-7-9(8)10/h2-4,11H,5-7H2,1H3

InChIKey

ZYZYBHLNMCJOOZ-UHFFFAOYSA-N

Compound name

8-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 179.07687 Da
Monoisotopic Mass: 1.8
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]+	180.08415	136.1
[M+Na]+	202.06609	149.1
[M+NH4]+	197.11069	146.6
[M+K]+	218.04003	139.4
[M-H]-	178.06959	139.2
[M+Na-2H]-	200.05154	142.4
[M]+	179.07632	139.4
[M]-	179.07742	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe