CID 29697

Prothiocarb

Structural Information

Molecular Formula

C₈H₁₈N₂OS

SMILES

CCSC(=O)NCCCN(C)C

InChI

InChI=1S/C8H18N2OS/c1-4-12-8(11)9-6-5-7-10(2)3/h4-7H2,1-3H3,(H,9,11)

InChIKey

YRRBXJLFCBCKNW-UHFFFAOYSA-N

Compound name

S-ethyl N-[3-(dimethylamino)propyl]carbamothioate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 11890
Patents: 190.11398 Da
Monoisotopic Mass: 1.2
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]+	191.12126	144.8
[M+Na]+	213.10320	149.6
[M-H]-	189.10670	146.2
[M+NH4]+	208.14780	165.0
[M+K]+	229.07714	149.2
[M+H-H2O]+	173.11124	138.3
[M+HCOO]-	235.11218	164.1
[M+CH3COO]-	249.12783	190.8
[M+Na-2H]-	211.08865	145.9
[M]+	190.11343	148.3
[M]-	190.11453	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe