CID 696326

37014-08-7

Structural Information

Molecular Formula

C₈H₁₀N₂OS

SMILES

COC1=CC=CC(=C1)NC(=S)N

InChI

InChI=1S/C8H10N2OS/c1-11-7-4-2-3-6(5-7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)

InChIKey

YGMXDSWMRIXNTI-UHFFFAOYSA-N

Compound name

(3-methoxyphenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 183
Patents: 182.05139 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]+	183.05867	137.2
[M+Na]+	205.04061	147.5
[M+NH4]+	200.08521	145.7
[M+K]+	221.01455	140.1
[M-H]-	181.04411	140.2
[M+Na-2H]-	203.02606	143.2
[M]+	182.05084	139.8
[M]-	182.05194	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe