CID 62468207

1249351-05-0

Structural Information

Molecular Formula

C₈H₁₂N₂OS

SMILES

C1=CN=C(C=C1CSCCO)N

InChI

InChI=1S/C8H12N2OS/c9-8-5-7(1-2-10-8)6-12-4-3-11/h1-2,5,11H,3-4,6H2,(H2,9,10)

InChIKey

CCHXWGBRUKHJKA-UHFFFAOYSA-N

Compound name

2-[(2-aminopyridin-4-yl)methylsulfanyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 184.06703 Da
Monoisotopic Mass: 0.0
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]+	185.07431	137.6
[M+Na]+	207.05625	148.7
[M+NH4]+	202.10085	145.9
[M+K]+	223.03019	140.8
[M-H]-	183.05975	139.5
[M+Na-2H]-	205.04170	143.2
[M]+	184.06648	140.0
[M]-	184.06758	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe