CID 44935

63884-47-9

Structural Information

Molecular Formula

C₆H₁₁NOS₂

SMILES

CN(C)C(=S)SCC1CO1

InChI

InChI=1S/C6H11NOS2/c1-7(2)6(9)10-4-5-3-8-5/h5H,3-4H2,1-2H3

InChIKey

YTYPOCZNMHMIIB-UHFFFAOYSA-N

Compound name

oxiran-2-ylmethyl N,N-dimethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	178.035486	129.6
[M+Na]+	200.017428	137.6
[M-H]-	176.020934	135.9
[M+NH4]+	195.062033	144.7
[M+K]+	215.991368	136.4
[M+H-H2O]+	160.025470	122.6
[M+HCOO]-	222.026411	142.7
[M+CH3COO]-	236.042061	186.3
[M+Na-2H]-	198.002876	131.4
[M]+	177.02766142	135.3
[M]-	177.02875858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe