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

0
Patents

231.00787 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.