CID 723622

56891-69-1

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S

SMILES

CCOC(=O)C1=C(C(=S)NC(=C1)C)C#N

InChI

InChI=1S/C10H10N2O2S/c1-3-14-10(13)7-4-6(2)12-9(15)8(7)5-11/h4H,3H2,1-2H3,(H,12,15)

InChIKey

WBMMFDGNOQLZNF-UHFFFAOYSA-N

Compound name

ethyl 3-cyano-6-methyl-2-sulfanylidene-1H-pyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 31
Patents: 222.0463 Da
Monoisotopic Mass: 1.0
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]+	223.05358	143.3
[M+Na]+	245.03552	154.7
[M+NH4]+	240.08012	147.0
[M+K]+	261.00946	145.0
[M-H]-	221.03902	136.6
[M+Na-2H]-	243.02097	145.5
[M]+	222.04575	142.5
[M]-	222.04685	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe