CID 17434

Mecarbam

Structural Information

Molecular Formula

C₁₀H₂₀NO₅PS₂

SMILES

CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC

InChI

InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3

InChIKey

KLGMSAOQDHLCOS-UHFFFAOYSA-N

Compound name

ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 6
References: 22636
Patents: 329.05206 Da
Monoisotopic Mass: 2.4
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]+	330.059336	169.9
[M+Na]+	352.041278	173.5
[M-H]-	328.044784	169.3
[M+NH4]+	347.085883	184.9
[M+K]+	368.015218	172.5
[M+H-H2O]+	312.049320	160.5
[M+HCOO]-	374.050261	186.4
[M+CH3COO]-	388.065911	209.6
[M+Na-2H]-	350.026726	166.4
[M]+	329.05151142	179.6
[M]-	329.05260858	179.6

Literature stripe

literature stripe

Patent stripe

patents stripe