CID 1549562

102-12-5

Structural Information

Molecular Formula

C₉H₁₂N₂OS

SMILES

C1=CC=C(C=C1)NC(=S)NCCO

InChI

InChI=1S/C9H12N2OS/c12-7-6-10-9(13)11-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H2,10,11,13)

InChIKey

MFCXZZJQPDIXAS-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethyl)-3-phenylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 44
Patents: 196.06703 Da
Monoisotopic Mass: 0.4
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	141.6
[M+Na]+	219.05625	151.0
[M+NH4]+	214.10085	149.7
[M+K]+	235.03019	143.3
[M-H]-	195.05975	144.1
[M+Na-2H]-	217.04170	147.4
[M]+	196.06648	143.8
[M]-	196.06758	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe