CID 439793

N(4)-phosphonatoagmatine(1-)

Structural Information

Molecular Formula
C5H15N4O3P
SMILES
C(CCN=C(N)N)CNP(=O)(O)O
InChI
InChI=1S/C5H15N4O3P/c6-5(7)8-3-1-2-4-9-13(10,11)12/h1-4H2,(H4,6,7,8)(H3,9,10,11,12)
InChIKey
UYYDRBKHPQBWOH-UHFFFAOYSA-N
Compound name
[4-(diaminomethylideneamino)butylamino]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.08818 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09546 147.0
[M+Na]+ 233.07740 149.5
[M+NH4]+ 228.12200 150.4
[M+K]+ 249.05134 148.8
[M-H]- 209.08090 144.1
[M+Na-2H]- 231.06285 146.2
[M]+ 210.08763 145.5
[M]- 210.08873 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.