CID 27369

15534-95-9

Structural Information

Molecular Formula

C₅H₁₀N₂O₂S

SMILES

C1CN(C(=S)N1CO)CO

InChI

InChI=1S/C5H10N2O2S/c8-3-6-1-2-7(4-9)5(6)10/h8-9H,1-4H2

InChIKey

QXYJLKUVMPXXKA-UHFFFAOYSA-N

Compound name

1,3-bis(hydroxymethyl)imidazolidine-2-thione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 261
Patents: 162.0463 Da
Monoisotopic Mass: -0.8
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]+	163.053576	133.2
[M+Na]+	185.035518	141.7
[M-H]-	161.039024	131.7
[M+NH4]+	180.080123	152.6
[M+K]+	201.009458	139.0
[M+H-H2O]+	145.043560	127.7
[M+HCOO]-	207.044501	146.6
[M+CH3COO]-	221.060151	169.6
[M+Na-2H]-	183.020966	133.1
[M]+	162.04575142	132.0
[M]-	162.04684858	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe