CID 29494

Carbamic acid, dimethyldithio-, acetonyl ester

Structural Information

Molecular Formula

C₆H₁₁NOS₂

SMILES

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

InChI

InChI=1S/C6H11NOS2/c1-5(8)4-10-6(9)7(2)3/h4H2,1-3H3

InChIKey

OYUFLGHVVZZHLL-UHFFFAOYSA-N

Compound name

2-oxopropyl N,N-dimethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 177.02821 Da
Monoisotopic Mass: 1.0
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]+	178.03549	136.0
[M+Na]+	200.01743	142.2
[M-H]-	176.02093	137.5
[M+NH4]+	195.06203	156.8
[M+K]+	215.99137	140.5
[M+H-H2O]+	160.02547	130.2
[M+HCOO]-	222.02641	147.8
[M+CH3COO]-	236.04206	184.7
[M+Na-2H]-	198.00288	134.6
[M]+	177.02766	138.9
[M]-	177.02876	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe