CID 124914

62178-61-4

Structural Information

Molecular Formula

C₉H₁₂N₂OS

SMILES

CCCC1=NC=CC(=C1)C(=S=O)N

InChI

InChI=1S/C9H12N2OS/c1-2-3-8-6-7(4-5-11-8)9(10)13-12/h4-6H,2-3,10H2,1H3

InChIKey

IMKGWDRATOZYNY-UHFFFAOYSA-N

Compound name

(2-propylpyridin-4-yl)-sulfinylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 196.06703 Da
Monoisotopic Mass: 1.2
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]+	197.07431	140.9
[M+Na]+	219.05625	148.9
[M-H]-	195.05975	142.9
[M+NH4]+	214.10085	159.1
[M+K]+	235.03019	145.0
[M+H-H2O]+	179.06429	134.2
[M+HCOO]-	241.06523	158.8
[M+CH3COO]-	255.08088	183.5
[M+Na-2H]-	217.04170	143.2
[M]+	196.06648	141.3
[M]-	196.06758	141.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.