CID 32230

Piperophos

Structural Information

Molecular Formula

C₁₄H₂₈NO₃PS₂

SMILES

CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C

InChI

InChI=1S/C14H28NO3PS2/c1-4-10-17-19(20,18-11-5-2)21-12-14(16)15-9-7-6-8-13(15)3/h13H,4-12H2,1-3H3

InChIKey

UNLYSVIDNRIVFJ-UHFFFAOYSA-N

Compound name

2-dipropoxyphosphinothioylsulfanyl-1-(2-methylpiperidin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 20646
Patents: 353.12482 Da
Monoisotopic Mass: 4.2
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]+	354.132096	177.8
[M+Na]+	376.114038	180.2
[M-H]-	352.117544	176.7
[M+NH4]+	371.158643	190.5
[M+K]+	392.087978	176.7
[M+H-H2O]+	336.122080	168.1
[M+HCOO]-	398.123021	188.7
[M+CH3COO]-	412.138671	211.0
[M+Na-2H]-	374.099486	172.3
[M]+	353.12427142	181.6
[M]-	353.12536858	181.6

Literature stripe

literature stripe

Patent stripe

patents stripe