CID 3068032

Bayer 56200

Structural Information

Molecular Formula

C₁₀H₁₈NO₄PS

SMILES

COP(=O)(OC)SCC(=O)N(CC=C)CC=C

InChI

InChI=1S/C10H18NO4PS/c1-5-7-11(8-6-2)10(12)9-17-16(13,14-3)15-4/h5-6H,1-2,7-9H2,3-4H3

InChIKey

ITLIBSSYOJRUCV-UHFFFAOYSA-N

Compound name

2-dimethoxyphosphorylsulfanyl-N,N-bis(prop-2-enyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.06943 Da
Monoisotopic Mass: 0.7
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]+	280.076706	162.1
[M+Na]+	302.058648	167.2
[M-H]-	278.062154	162.2
[M+NH4]+	297.103253	179.3
[M+K]+	318.032588	166.3
[M+H-H2O]+	262.066690	153.5
[M+HCOO]-	324.067631	185.3
[M+CH3COO]-	338.083281	202.9
[M+Na-2H]-	300.044096	160.4
[M]+	279.06888142	170.5
[M]-	279.06997858	170.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.