CID 81664

7250-18-2

Structural Information

Molecular Formula

C₁₀H₁₃NS₂

SMILES

CN(C)C(=S)SCC1=CC=CC=C1

InChI

InChI=1S/C10H13NS2/c1-11(2)10(12)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3

InChIKey

HLZBIKHKXIJIHX-UHFFFAOYSA-N

Compound name

benzyl N,N-dimethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 128
Patents: 211.04893 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]+	212.05621	143.5
[M+Na]+	234.03815	150.1
[M-H]-	210.04165	148.1
[M+NH4]+	229.08275	163.3
[M+K]+	250.01209	146.5
[M+H-H2O]+	194.04619	136.9
[M+HCOO]-	256.04713	156.9
[M+CH3COO]-	270.06278	189.9
[M+Na-2H]-	232.02360	144.2
[M]+	211.04838	145.6
[M]-	211.04948	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe