CID 3049956

Brn 1116749

Structural Information

Molecular Formula

C₈H₁₃N₃O₂S

SMILES

CC(=O)NCC(=O)N=C1N(CCS1)C

InChI

InChI=1S/C8H13N3O2S/c1-6(12)9-5-7(13)10-8-11(2)3-4-14-8/h3-5H2,1-2H3,(H,9,12)

InChIKey

HPRGZVSNEUPTKZ-UHFFFAOYSA-N

Compound name

2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 215.07285 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]+	216.080126	148.4
[M+Na]+	238.062068	154.2
[M-H]-	214.065574	151.8
[M+NH4]+	233.106673	167.9
[M+K]+	254.036008	153.1
[M+H-H2O]+	198.070110	141.4
[M+HCOO]-	260.071051	166.8
[M+CH3COO]-	274.086701	190.2
[M+Na-2H]-	236.047516	148.0
[M]+	215.07230142	148.5
[M]-	215.07339858	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe