CID 2723949

Thioacetamide

Structural Information

Molecular Formula

SMILES

CC(=S)N

InChI

InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)

InChIKey

YUKQRDCYNOVPGJ-UHFFFAOYSA-N

Compound name

ethanethioamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 2154
References: 27907
Patents: 75.01427 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]+	76.021546	110.3
[M+Na]+	98.003488	118.3
[M-H]-	74.006994	110.9
[M+NH4]+	93.048093	134.5
[M+K]+	113.97743	117.5
[M+H-H2O]+	58.011530	106.0
[M+HCOO]-	120.01247	129.2
[M+CH3COO]-	134.02812	162.9
[M+Na-2H]-	95.988936	113.7
[M]+	75.013721	108.8
[M]-	75.014819	108.8

Literature stripe

literature stripe

Patent stripe

patents stripe