CID 135472436

51146-75-9

Structural Information

Molecular Formula

C₉H₁₁N₃O₂S

SMILES

COC1=CC=CC(=C1O)/C=N/NC(=S)N

InChI

InChI=1S/C9H11N3O2S/c1-14-7-4-2-3-6(8(7)13)5-11-12-9(10)15/h2-5,13H,1H3,(H3,10,12,15)/b11-5+

InChIKey

ZOZTWVGHQKXQOZ-VZUCSPMQSA-N

Compound name

[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 225.0572 Da
Monoisotopic Mass: 0.6
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]+	226.06448	147.0
[M+Na]+	248.04642	153.8
[M-H]-	224.04992	150.4
[M+NH4]+	243.09102	164.6
[M+K]+	264.02036	150.3
[M+H-H2O]+	208.05446	139.9
[M+HCOO]-	270.05540	168.0
[M+CH3COO]-	284.07105	193.7
[M+Na-2H]-	246.03187	149.6
[M]+	225.05665	146.9
[M]-	225.05775	146.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.