CID 129676202

Aminohydroxypropylidene diphosphonate

Structural Information

Molecular Formula
C3H7NO6P2
SMILES
C(C1O[P+](=O)O[P+](=O)O1)C(N)O
InChI
InChI=1S/C3H7NO6P2/c4-2(5)1-3-8-11(6)10-12(7)9-3/h2-3,5H,1,4H2/q+2
InChIKey
CQZRGIIPWRBIQL-UHFFFAOYSA-N
Compound name
1-amino-2-(2,4-dioxo-1,3,5,2,4-trioxadiphosphinane-2,4-diium-6-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2206
References

0
Patents

214.97485 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.98213 144.9
[M+Na]+ 237.96407 150.7
[M-H]- 213.96757 146.9
[M+NH4]+ 233.00867 158.2
[M+K]+ 253.93801 143.2
[M+H-H2O]+ 197.97211 140.2
[M+HCOO]- 259.97305 172.6
[M+CH3COO]- 273.98870 171.8
[M+Na-2H]- 235.94952 151.9
[M]+ 214.97430 143.4
[M]- 214.97540 143.4
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.