CID 3053947

70548-44-6

Structural Information

Molecular Formula

C₅H₁₅N₂O₃PS

SMILES

C(C[C@@H](CSP(=O)(O)O)N)CN

InChI

InChI=1S/C5H15N2O3PS/c6-3-1-2-5(7)4-12-11(8,9)10/h5H,1-4,6-7H2,(H2,8,9,10)/t5-/m0/s1

InChIKey

UFEQAHRMNBEVLL-YFKPBYRVSA-N

Compound name

[(2S)-2,5-diaminopentyl]sulfanylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 214.05411 Da
Monoisotopic Mass: -4.5
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]+	215.061386	146.0
[M+Na]+	237.043328	150.2
[M-H]-	213.046834	140.9
[M+NH4]+	232.087933	162.7
[M+K]+	253.017268	147.7
[M+H-H2O]+	197.051370	138.0
[M+HCOO]-	259.052311	165.8
[M+CH3COO]-	273.067961	185.0
[M+Na-2H]-	235.028776	144.1
[M]+	214.05356142	144.8
[M]-	214.05465858	144.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.