CID 2765758

139331-66-1

Structural Information

Molecular Formula

C₁₁H₁₄N₂S

SMILES

C1CCC2=C(C1)C=CC=C2NC(=S)N

InChI

InChI=1S/C11H14N2S/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2,(H3,12,13,14)

InChIKey

SISDQWCAZUMWHN-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydronaphthalen-1-ylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 206.08777 Da
Monoisotopic Mass: 2.5
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]+	207.09505	142.5
[M+Na]+	229.07699	152.8
[M+NH4]+	224.12159	152.4
[M+K]+	245.05093	144.2
[M-H]-	205.08049	146.7
[M+Na-2H]-	227.06244	148.3
[M]+	206.08722	145.4
[M]-	206.08832	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe