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: 6
Patents: 210.08818 Da
Monoisotopic Mass: -2.7
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]+	211.09546	145.2
[M+Na]+	233.07740	148.8
[M-H]-	209.08090	141.8
[M+NH4]+	228.12200	161.6
[M+K]+	249.05134	148.4
[M+H-H2O]+	193.08544	136.7
[M+HCOO]-	255.08638	173.9
[M+CH3COO]-	269.10203	192.8
[M+Na-2H]-	231.06285	147.0
[M]+	210.08763	141.7
[M]-	210.08873	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe