CID 6398483

Methionine phosphinate

Structural Information

Molecular Formula

C₄H₁₁NO₂PS

SMILES

CSCC[C@H](N)[P+](=O)O

InChI

InChI=1S/C4H10NO2PS/c1-9-3-2-4(5)8(6)7/h4H,2-3,5H2,1H3/p+1/t4-/m1/s1

InChIKey

BSTOZABDPPHMGK-SCSAIBSYSA-O

Compound name

[(1R)-1-amino-3-methylsulfanylpropyl]-hydroxy-oxophosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 168.02481 Da
Monoisotopic Mass: -0.6
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]+	169.03209	130.8
[M+Na]+	191.01403	136.6
[M-H]-	167.01753	128.6
[M+NH4]+	186.05863	150.7
[M+K]+	206.98797	130.0
[M+H-H2O]+	151.02207	126.3
[M+HCOO]-	213.02301	152.4
[M+CH3COO]-	227.03866	170.9
[M+Na-2H]-	188.99948	131.1
[M]+	168.02426	130.3
[M]-	168.02536	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe