CID 88050

Phosphorothioic acid, s-(amidinomethyl) ester, monosodium salt

Structural Information

Molecular Formula
C2H7N2O3PS
SMILES
C(C(=N)N)SP(=O)(O)O
InChI
InChI=1S/C2H7N2O3PS/c3-2(4)1-9-8(5,6)7/h1H2,(H3,3,4)(H2,5,6,7)
InChIKey
GHCKLKTZRWDVAV-UHFFFAOYSA-N
Compound name
(2-amino-2-iminoethyl)sulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.9915 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.99878 131.4
[M+Na]+ 192.98072 137.2
[M-H]- 168.98422 127.4
[M+NH4]+ 188.02532 150.0
[M+K]+ 208.95466 135.1
[M+H-H2O]+ 152.98876 124.1
[M+HCOO]- 214.98970 153.0
[M+CH3COO]- 229.00535 175.4
[M+Na-2H]- 190.96617 131.9
[M]+ 169.99095 129.4
[M]- 169.99205 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.