CID 2771893

4,5-dihydroxyimidazolidine-2-thione

Structural Information

Molecular Formula

C₃H₆N₂O₂S

SMILES

C1(C(NC(=S)N1)O)O

InChI

InChI=1S/C3H6N2O2S/c6-1-2(7)5-3(8)4-1/h1-2,6-7H,(H2,4,5,8)

InChIKey

HVXHULQXOUOVJM-UHFFFAOYSA-N

Compound name

4,5-dihydroxyimidazolidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 59
Patents: 134.015 Da
Monoisotopic Mass: -1.3
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]+	135.02228	126.3
[M+Na]+	157.00422	134.1
[M+NH4]+	152.04882	132.8
[M+K]+	172.97816	131.0
[M-H]-	133.00772	123.8
[M+Na-2H]-	154.98967	126.8
[M]+	134.01445	126.6
[M]-	134.01555	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe