CID 439793

N(4)-phosphoagmatine

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: 9
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]+	211.095456	145.2
[M+Na]+	233.077398	148.8
[M-H]-	209.080904	141.8
[M+NH4]+	228.122003	161.6
[M+K]+	249.051338	148.4
[M+H-H2O]+	193.085440	136.7
[M+HCOO]-	255.086381	173.9
[M+CH3COO]-	269.102031	192.8
[M+Na-2H]-	231.062846	147.0
[M]+	210.08763142	141.7
[M]-	210.08872858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe