CID 2782113

2-amino-2-thioxoethyl pivalate

Structural Information

Molecular Formula

C₇H₁₃NO₂S

SMILES

CC(C)(C)C(=O)OCC(=S)N

InChI

InChI=1S/C7H13NO2S/c1-7(2,3)6(9)10-4-5(8)11/h4H2,1-3H3,(H2,8,11)

InChIKey

COULAOZTCJTHOX-UHFFFAOYSA-N

Compound name

(2-amino-2-sulfanylideneethyl) 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 254
Patents: 175.0667 Da
Monoisotopic Mass: 1.1
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]+	176.07398	141.0
[M+Na]+	198.05592	148.2
[M+NH4]+	193.10052	147.7
[M+K]+	214.02986	143.3
[M-H]-	174.05942	139.2
[M+Na-2H]-	196.04137	142.1
[M]+	175.06615	141.6
[M]-	175.06725	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe