CID 90657897

3-(n-acetyl-n-hydroxy)aminopropylphosphonate

Structural Information

Molecular Formula
C5H11NO5P
SMILES
CC(=O)N(CCCP(=O)(O)[O-])O
InChI
InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)/p-1
InChIKey
PKMNDDZSIHLLLI-UHFFFAOYSA-M
Compound name
3-[acetyl(hydroxy)amino]propyl-hydroxyphosphinate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

54
References

100
Patents

196.03749 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04477 141.1
[M+Na]+ 219.02671 146.9
[M-H]- 195.03021 137.5
[M+NH4]+ 214.07131 159.2
[M+K]+ 235.00065 148.3
[M+H-H2O]+ 179.03475 136.6
[M+HCOO]- 241.03569 167.3
[M+CH3COO]- 255.05134 179.4
[M+Na-2H]- 217.01216 143.1
[M]+ 196.03694 142.5
[M]- 196.03804 142.5
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.