CID 102300

Diisopropoxy-(2-dimethylaminoethylthio)phosphine oxide oxalate

Structural Information

Molecular Formula

C₁₀H₂₄NO₃PS

SMILES

CC(C)OP(=O)(OC(C)C)SCCN(C)C

InChI

InChI=1S/C10H24NO3PS/c1-9(2)13-15(12,14-10(3)4)16-8-7-11(5)6/h9-10H,7-8H2,1-6H3

InChIKey

JAFJBSJQOPRFHM-UHFFFAOYSA-N

Compound name

2-di(propan-2-yloxy)phosphorylsulfanyl-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.12146 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]+	270.128736	163.7
[M+Na]+	292.110678	167.8
[M-H]-	268.114184	163.8
[M+NH4]+	287.155283	181.5
[M+K]+	308.084618	168.7
[M+H-H2O]+	252.118720	155.1
[M+HCOO]-	314.119661	185.0
[M+CH3COO]-	328.135311	205.3
[M+Na-2H]-	290.096126	160.5
[M]+	269.12091142	172.2
[M]-	269.12200858	172.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.