CID 382225

Nsc669681

Structural Information

Molecular Formula

C₅H₁₄NO₂PS

SMILES

CP(=O)(C(CCSC)N)O

InChI

InChI=1S/C5H14NO2PS/c1-9(7,8)5(6)3-4-10-2/h5H,3-4,6H2,1-2H3,(H,7,8)

InChIKey

OUQYPJOGYALLBV-UHFFFAOYSA-N

Compound name

(1-amino-3-methylsulfanylpropyl)-methylphosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 183.0483 Da
Monoisotopic Mass: -3.2
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]+	184.05558	140.0
[M+Na]+	206.03752	145.9
[M-H]-	182.04102	137.3
[M+NH4]+	201.08212	159.7
[M+K]+	222.01146	144.3
[M+H-H2O]+	166.04556	132.8
[M+HCOO]-	228.04650	161.0
[M+CH3COO]-	242.06215	180.7
[M+Na-2H]-	204.02297	138.9
[M]+	183.04775	141.5
[M]-	183.04885	141.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.