CID 12278813

59749-98-3

Structural Information

Molecular Formula

C₈H₁₀N₂O₂S

SMILES

C1=COC(=C1)CNC(=O)CC(=S)N

InChI

InChI=1S/C8H10N2O2S/c9-7(13)4-8(11)10-5-6-2-1-3-12-6/h1-3H,4-5H2,(H2,9,13)(H,10,11)

InChIKey

VHZIQZDTZQVEBI-UHFFFAOYSA-N

Compound name

3-amino-N-(furan-2-ylmethyl)-3-sulfanylidenepropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.0463 Da
Monoisotopic Mass: -0.2
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]+	199.05358	144.0
[M+Na]+	221.03552	150.3
[M-H]-	197.03902	147.9
[M+NH4]+	216.08012	163.1
[M+K]+	237.00946	148.8
[M+H-H2O]+	181.04356	137.7
[M+HCOO]-	243.04450	163.5
[M+CH3COO]-	257.06015	184.7
[M+Na-2H]-	219.02097	145.4
[M]+	198.04575	144.5
[M]-	198.04685	144.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.