CID 696326

(3-methoxyphenyl)thiourea

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: 207
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]+	183.058666	136.6
[M+Na]+	205.040608	143.8
[M-H]-	181.044114	140.1
[M+NH4]+	200.085213	156.3
[M+K]+	221.014548	140.7
[M+H-H2O]+	165.048650	130.4
[M+HCOO]-	227.049591	156.8
[M+CH3COO]-	241.065241	183.7
[M+Na-2H]-	203.026056	139.9
[M]+	182.05084142	136.1
[M]-	182.05193858	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe