CID 731344

26957-73-3

Structural Information

Molecular Formula

C₅H₁₁N₃OS

SMILES

C1NC(=S)NCN1CCO

InChI

InChI=1S/C5H11N3OS/c9-2-1-8-3-6-5(10)7-4-8/h9H,1-4H2,(H2,6,7,10)

InChIKey

NATVVRFRJHJKDJ-UHFFFAOYSA-N

Compound name

5-(2-hydroxyethyl)-1,3,5-triazinane-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 25
Patents: 161.06229 Da
Monoisotopic Mass: -0.7
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]+	162.06957	134.5
[M+Na]+	184.05151	143.5
[M+NH4]+	179.09611	141.0
[M+K]+	200.02545	137.1
[M-H]-	160.05501	132.8
[M+Na-2H]-	182.03696	136.5
[M]+	161.06174	135.3
[M]-	161.06284	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe