CID 2794734

2,2-diethoxythioacetamide

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

CCOC(C(=S)N)OCC

InChI

InChI=1S/C6H13NO2S/c1-3-8-6(5(7)10)9-4-2/h6H,3-4H2,1-2H3,(H2,7,10)

InChIKey

MQSDGAKLSVITHP-UHFFFAOYSA-N

Compound name

2,2-diethoxyethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 232
Patents: 163.0667 Da
Monoisotopic Mass: 0.3
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]+	164.073976	135.4
[M+Na]+	186.055918	141.2
[M-H]-	162.059424	135.1
[M+NH4]+	181.100523	155.8
[M+K]+	202.029858	140.6
[M+H-H2O]+	146.063960	129.9
[M+HCOO]-	208.064901	152.5
[M+CH3COO]-	222.080551	179.9
[M+Na-2H]-	184.041366	135.7
[M]+	163.06615142	137.6
[M]-	163.06724858	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe