CID 3032597

13037-43-9

Structural Information

Molecular Formula

C₁₂H₁₁NS₂

SMILES

CSC(=S)NC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C12H11NS2/c1-15-12(14)13-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)

InChIKey

AMWMILZYBSFDJC-UHFFFAOYSA-N

Compound name

methyl N-naphthalen-1-ylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 233.0333 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]+	234.04058	145.0
[M+Na]+	256.02252	153.2
[M-H]-	232.02602	149.2
[M+NH4]+	251.06712	164.6
[M+K]+	271.99646	147.3
[M+H-H2O]+	216.03056	139.2
[M+HCOO]-	278.03150	157.7
[M+CH3COO]-	292.04715	157.1
[M+Na-2H]-	254.00797	148.9
[M]+	233.03275	146.2
[M]-	233.03385	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe