CID 12042

Preparation 23

Structural Information

Molecular Formula

C₅H₁₁NS₂

SMILES

CCSC(=S)N(C)C

InChI

InChI=1S/C5H11NS2/c1-4-8-5(7)6(2)3/h4H2,1-3H3

InChIKey

VPNCITAAFMVUKG-UHFFFAOYSA-N

Compound name

ethyl N,N-dimethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 149.0333 Da
Monoisotopic Mass: 1.6
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]+	150.04058	128.5
[M+Na]+	172.02252	135.3
[M-H]-	148.02602	130.3
[M+NH4]+	167.06712	150.7
[M+K]+	187.99646	133.8
[M+H-H2O]+	132.03056	122.9
[M+HCOO]-	194.03150	141.3
[M+CH3COO]-	208.04715	180.0
[M+Na-2H]-	170.00797	128.4
[M]+	149.03275	130.9
[M]-	149.03385	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe