CID 53864493

2803861-17-6

Structural Information

Molecular Formula

C₁₀H₁₃NS

SMILES

C1CC2=C(C(=CC=C2)CN)SC1

InChI

InChI=1S/C10H13NS/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h1,3-4H,2,5-7,11H2

InChIKey

GYTMWGZFYYJTKV-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-thiochromen-8-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.07687 Da
Monoisotopic Mass: 1.7
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]+	180.08415	134.8
[M+Na]+	202.06609	147.0
[M+NH4]+	197.11069	145.8
[M+K]+	218.04003	137.4
[M-H]-	178.06959	139.3
[M+Na-2H]-	200.05154	141.5
[M]+	179.07632	138.3
[M]-	179.07742	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.