CID 24892785

Indolylmethylthiohydroximate

Structural Information

Molecular Formula

C₁₀H₁₀N₂OS

SMILES

C1=CC=C2C(=C1)C(=CN2)CC(=S)NO

InChI

InChI=1S/C10H10N2OS/c13-12-10(14)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11,13H,5H2,(H,12,14)

InChIKey

NPTAQBFHUNRJAR-UHFFFAOYSA-N

Compound name

N-hydroxy-2-(1H-indol-3-yl)ethanethioamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 206.05139 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]+	207.058666	141.5
[M+Na]+	229.040608	150.7
[M-H]-	205.044114	142.8
[M+NH4]+	224.085213	161.3
[M+K]+	245.014548	145.3
[M+H-H2O]+	189.048650	136.0
[M+HCOO]-	251.049591	158.9
[M+CH3COO]-	265.065241	154.0
[M+Na-2H]-	227.026056	145.7
[M]+	206.05084142	141.8
[M]-	206.05193858	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe