CID 2737940

Maybridge1_007463

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂S

SMILES

COC1=CC=CC=C1CNC(=S)NCCO

InChI

InChI=1S/C11H16N2O2S/c1-15-10-5-3-2-4-9(10)8-13-11(16)12-6-7-14/h2-5,14H,6-8H2,1H3,(H2,12,13,16)

InChIKey

PEGICPPVSBLHFJ-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 4
Patents: 240.09325 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]+	241.100526	152.9
[M+Na]+	263.082468	158.2
[M-H]-	239.085974	154.8
[M+NH4]+	258.127073	169.7
[M+K]+	279.056408	154.4
[M+H-H2O]+	223.090510	146.0
[M+HCOO]-	285.091451	171.4
[M+CH3COO]-	299.107101	192.3
[M+Na-2H]-	261.067916	155.4
[M]+	240.09270142	153.9
[M]-	240.09379858	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe