CID 96949

Dtxsid20909506

Structural Information

Molecular Formula

C₅H₁₄N₃O₂PS

SMILES

CCOP(=S)(N=C(N)N)OCC

InChI

InChI=1S/C5H14N3O2PS/c1-3-9-11(12,10-4-2)8-5(6)7/h3-4H2,1-2H3,(H4,6,7,8,12)

InChIKey

QOSLJPRIJQEMPD-UHFFFAOYSA-N

Compound name

2-diethoxyphosphinothioylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.05443 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]+	212.061706	143.7
[M+Na]+	234.043648	148.9
[M-H]-	210.047154	143.0
[M+NH4]+	229.088253	162.5
[M+K]+	250.017588	148.0
[M+H-H2O]+	194.051690	134.9
[M+HCOO]-	256.052631	169.0
[M+CH3COO]-	270.068281	193.6
[M+Na-2H]-	232.029096	143.5
[M]+	211.05388142	145.3
[M]-	211.05497858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.