CID 8297

Ethoate-methyl

Structural Information

Molecular Formula

C₆H₁₄NO₃PS₂

SMILES

CCNC(=O)CSP(=S)(OC)OC

InChI

InChI=1S/C6H14NO3PS2/c1-4-7-6(8)5-13-11(12,9-2)10-3/h4-5H2,1-3H3,(H,7,8)

InChIKey

DICRHEJCQXFJBY-UHFFFAOYSA-N

Compound name

2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 0
References: 5565
Patents: 243.01527 Da
Monoisotopic Mass: 1.1
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]+	244.022546	148.1
[M+Na]+	266.004488	153.6
[M-H]-	242.007994	146.7
[M+NH4]+	261.049093	166.1
[M+K]+	281.978428	151.2
[M+H-H2O]+	226.012530	139.6
[M+HCOO]-	288.013471	165.6
[M+CH3COO]-	302.029121	192.0
[M+Na-2H]-	263.989936	146.7
[M]+	243.01472142	153.6
[M]-	243.01581858	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe