CID 3043820

Brn 1865854

Structural Information

Molecular Formula

C₉H₂₂NO₂PS

SMILES

CC(C)COP(=O)(C)SCCN(C)C

InChI

InChI=1S/C9H22NO2PS/c1-9(2)8-12-13(5,11)14-7-6-10(3)4/h9H,6-8H2,1-5H3

InChIKey

OVBJVFPBWXJERA-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-[methyl(2-methylpropoxy)phosphoryl]sulfanylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.11089 Da
Monoisotopic Mass: 1.5
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]+	240.118166	156.4
[M+Na]+	262.100108	161.3
[M-H]-	238.103614	156.6
[M+NH4]+	257.144713	175.6
[M+K]+	278.074048	161.5
[M+H-H2O]+	222.108150	148.1
[M+HCOO]-	284.109091	178.8
[M+CH3COO]-	298.124741	199.5
[M+Na-2H]-	260.085556	154.4
[M]+	239.11034142	163.7
[M]-	239.11143858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.