CID 3034211

10319-80-9

Structural Information

Molecular Formula

C₁₂H₁₁NS

SMILES

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

InChI

InChI=1S/C12H11NS/c1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,13,14)

InChIKey

VCHHDIBIIGAJQB-UHFFFAOYSA-N

Compound name

N-naphthalen-1-ylethanethioamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 201.06122 Da
Monoisotopic Mass: 2.2
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]+	202.068496	140.2
[M+Na]+	224.050438	148.3
[M-H]-	200.053944	145.0
[M+NH4]+	219.095043	160.9
[M+K]+	240.024378	143.8
[M+H-H2O]+	184.058480	134.3
[M+HCOO]-	246.059421	158.7
[M+CH3COO]-	260.075071	153.3
[M+Na-2H]-	222.035886	145.8
[M]+	201.06067142	140.6
[M]-	201.06176858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe