CID 114110

Phosphorothioic acid, s-(2-((2-aminoethyl)amino)ethyl) ester, hydrate

Structural Information

Molecular Formula
C4H13N2O3PS
SMILES
C(CNCCSP(=O)(O)O)N
InChI
InChI=1S/C4H13N2O3PS/c5-1-2-6-3-4-11-10(7,8)9/h6H,1-5H2,(H2,7,8,9)
InChIKey
CSPXJEGFRYZOHI-UHFFFAOYSA-N
Compound name
2-(2-aminoethylamino)ethylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.03845 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04573 141.3
[M+Na]+ 223.02767 146.0
[M+NH4]+ 218.07227 146.5
[M+K]+ 239.00161 142.1
[M-H]- 199.03117 138.4
[M+Na-2H]- 221.01312 141.2
[M]+ 200.03790 140.9
[M]- 200.03900 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.