CID 22833510

Schembl29445344

Structural Information

Molecular Formula
C5H14NO6P
SMILES
C(CO)N(CC(CO)O)P(=O)(O)O
InChI
InChI=1S/C5H14NO6P/c7-2-1-6(13(10,11)12)3-5(9)4-8/h5,7-9H,1-4H2,(H2,10,11,12)
InChIKey
FRMZOWIQVCBEAC-UHFFFAOYSA-N
Compound name
[2,3-dihydroxypropyl(2-hydroxyethyl)amino]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

118
Patents

215.05588 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.063156 147.4
[M+Na]+ 238.045098 151.5
[M-H]- 214.048604 140.8
[M+NH4]+ 233.089703 162.9
[M+K]+ 254.019038 151.6
[M+H-H2O]+ 198.053140 140.4
[M+HCOO]- 260.054081 169.4
[M+CH3COO]- 274.069731 179.9
[M+Na-2H]- 236.030546 148.1
[M]+ 215.05533142 147.3
[M]- 215.05642858 147.3
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

patents stripe