CID 2732540

{[(1-benzofuran-2-yl)methyl]sulfanyl}methanimidamide

Structural Information

Molecular Formula

C₁₀H₁₀N₂OS

SMILES

C1=CC=C2C(=C1)C=C(O2)CSC(=N)N

InChI

InChI=1S/C10H10N2OS/c11-10(12)14-6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H3,11,12)

InChIKey

JYPUOIMPIXJVJY-UHFFFAOYSA-N

Compound name

1-benzofuran-2-ylmethyl carbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 206.05139 Da
Monoisotopic Mass: 2.1
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	141.7
[M+Na]+	229.040608	151.0
[M-H]-	205.044114	147.3
[M+NH4]+	224.085213	162.4
[M+K]+	245.014548	148.0
[M+H-H2O]+	189.048650	136.2
[M+HCOO]-	251.049591	162.9
[M+CH3COO]-	265.065241	155.5
[M+Na-2H]-	227.026056	147.0
[M]+	206.05084142	144.0
[M]-	206.05193858	144.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.