CID 22833510

Chebi:134287

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
3
Annotation Hits

0
References

83
Patents

215.05588 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06316 147.4
[M+Na]+ 238.04510 151.5
[M-H]- 214.04860 140.8
[M+NH4]+ 233.08970 162.9
[M+K]+ 254.01904 151.6
[M+H-H2O]+ 198.05314 140.4
[M+HCOO]- 260.05408 169.4
[M+CH3COO]- 274.06973 179.9
[M+Na-2H]- 236.03055 148.1
[M]+ 215.05533 147.3
[M]- 215.05643 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