CID 2736338

64038-64-8

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

CCOC(=O)C1=CNC(=S)N1

InChI

InChI=1S/C6H8N2O2S/c1-2-10-5(9)4-3-7-6(11)8-4/h3H,2H2,1H3,(H2,7,8,11)

InChIKey

PONOGPICUOALRU-UHFFFAOYSA-N

Compound name

ethyl 2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 189
Patents: 172.03065 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]+	173.03793	136.5
[M+Na]+	195.01987	146.0
[M+NH4]+	190.06447	142.9
[M+K]+	210.99381	141.7
[M-H]-	171.02337	134.8
[M+Na-2H]-	193.00532	139.0
[M]+	172.03010	137.4
[M]-	172.03120	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe