CID 439923

N-phosphonatotaurocyamine(2-)

Structural Information

Molecular Formula

C₃H₁₀N₃O₆PS

SMILES

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

InChI

InChI=1S/C3H10N3O6PS/c4-3(6-13(7,8)9)5-1-2-14(10,11)12/h1-2H2,(H,10,11,12)(H5,4,5,6,7,8,9)

InChIKey

JOYGYOHHMWVUFM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 2
Patents: 247.00279 Da
Monoisotopic Mass: -3.7
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]+	248.01007	148.5
[M+Na]+	269.99201	150.0
[M+NH4]+	265.03661	150.3
[M+K]+	285.96595	150.2
[M-H]-	245.99551	142.5
[M+Na-2H]-	267.97746	146.3
[M]+	247.00224	146.4
[M]-	247.00334	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe