CID 43810855

58952-08-2

Structural Information

Molecular Formula

C₁₁H₁₃NS

SMILES

C1CC(C2=CC=CC=C2C1)C(=S)N

InChI

InChI=1S/C11H13NS/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H2,12,13)

InChIKey

WCOTWXXZVVJKIP-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydronaphthalene-1-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.07687 Da
Monoisotopic Mass: 2.3
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]+	192.08415	138.6
[M+Na]+	214.06609	144.9
[M-H]-	190.06959	142.1
[M+NH4]+	209.11069	159.2
[M+K]+	230.04003	140.7
[M+H-H2O]+	174.07413	133.0
[M+HCOO]-	236.07507	153.8
[M+CH3COO]-	250.09072	150.7
[M+Na-2H]-	212.05154	141.8
[M]+	191.07632	134.9
[M]-	191.07742	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe