CID 188984

Phosphoguanidinoacetate

Structural Information

Molecular Formula

C₃H₈N₃O₅P

SMILES

C(C(=O)O)N=C(N)NP(=O)(O)O

InChI

InChI=1S/C3H8N3O5P/c4-3(5-1-2(7)8)6-12(9,10)11/h1H2,(H,7,8)(H5,4,5,6,9,10,11)

InChIKey

UUZLOPBEONRDRY-UHFFFAOYSA-N

Compound name

2-[[amino-(phosphonoamino)methylidene]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 33
Patents: 197.02016 Da
Monoisotopic Mass: -2.8
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]+	198.02744	137.6
[M+Na]+	220.00938	142.4
[M-H]-	196.01288	133.7
[M+NH4]+	215.05398	154.2
[M+K]+	235.98332	142.8
[M+H-H2O]+	180.01742	129.9
[M+HCOO]-	242.01836	164.8
[M+CH3COO]-	256.03401	183.3
[M+Na-2H]-	217.99483	139.8
[M]+	197.01961	134.7
[M]-	197.02071	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe