CID 119467

S-methyl n,n-diethylthiocarbamate

Structural Information

Molecular Formula

SMILES

CCN(CC)C(=O)SC

InChI

InChI=1S/C6H13NOS/c1-4-7(5-2)6(8)9-3/h4-5H2,1-3H3

InChIKey

AQTFQQHFHGBCPG-UHFFFAOYSA-N

Compound name

S-methyl N,N-diethylcarbamothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 64
Patents: 147.0718 Da
Monoisotopic Mass: 1.4
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]+	148.07908	132.9
[M+Na]+	170.06102	141.9
[M+NH4]+	165.10562	141.3
[M+K]+	186.03496	135.1
[M-H]-	146.06452	133.3
[M+Na-2H]-	168.04647	136.0
[M]+	147.07125	134.5
[M]-	147.07235	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe