CID 14215

Pebulate

Structural Information

Molecular Formula

C₁₀H₂₁NOS

SMILES

CCCCN(CC)C(=O)SCCC

InChI

InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3

InChIKey

SGEJQUSYQTVSIU-UHFFFAOYSA-N

Compound name

S-propyl N-butyl-N-ethylcarbamothioate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 8
References: 14545
Patents: 203.13438 Da
Monoisotopic Mass: 3.8
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]+	204.14166	150.0
[M+Na]+	226.12360	158.2
[M+NH4]+	221.16820	157.8
[M+K]+	242.09754	150.5
[M-H]-	202.12710	150.2
[M+Na-2H]-	224.10905	152.1
[M]+	203.13383	151.5
[M]-	203.13493	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe