CID 16019959

N(omega)-phosphohypotaurocyamine(2-)

Structural Information

Molecular Formula

C₃H₁₀N₃O₅PS

SMILES

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

InChI

InChI=1S/C3H10N3O5PS/c4-3(6-12(7,8)9)5-1-2-13(10)11/h1-2H2,(H,10,11)(H5,4,5,6,7,8,9)

InChIKey

ZGZSALVJNJADDS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 231.00787 Da
Monoisotopic Mass: -3.4
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]+	232.01515	142.2
[M+Na]+	253.99709	146.1
[M-H]-	230.00059	137.8
[M+NH4]+	249.04169	157.7
[M+K]+	269.97103	145.0
[M+H-H2O]+	214.00513	133.7
[M+HCOO]-	276.00607	164.0
[M+CH3COO]-	290.02172	187.2
[M+Na-2H]-	251.98254	142.4
[M]+	231.00732	140.9
[M]-	231.00842	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe