CID 88659

20709-38-0

Structural Information

Molecular Formula
C5H15N2O3PS
SMILES
C(CNCCN)CSP(=O)(O)O
InChI
InChI=1S/C5H15N2O3PS/c6-2-4-7-3-1-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)
InChIKey
JSGVYZIZTZNDHK-UHFFFAOYSA-N
Compound name
3-(2-aminoethylamino)propylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.05411 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.061386 145.0
[M+Na]+ 237.043328 149.5
[M-H]- 213.046834 140.4
[M+NH4]+ 232.087933 162.1
[M+K]+ 253.017268 146.8
[M+H-H2O]+ 197.051370 136.9
[M+HCOO]- 259.052311 166.5
[M+CH3COO]- 273.067961 184.7
[M+Na-2H]- 235.028776 145.3
[M]+ 214.05356142 145.5
[M]- 214.05465858 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.