CID 44306132

2-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl-methylamino]acetic acid

Structural Information

Molecular Formula
C5H13NO9P2
SMILES
CN(CCOP(=O)(O)OP(=O)(O)O)CC(=O)O
InChI
InChI=1S/C5H13NO9P2/c1-6(4-5(7)8)2-3-14-17(12,13)15-16(9,10)11/h2-4H2,1H3,(H,7,8)(H,12,13)(H2,9,10,11)
InChIKey
YERUUUBBRAPJND-UHFFFAOYSA-N
Compound name
2-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.00656 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.01384 165.6
[M+Na]+ 315.99578 169.9
[M-H]- 291.99928 169.1
[M+NH4]+ 311.04038 168.2
[M+K]+ 331.96972 164.3
[M+H-H2O]+ 276.00382 148.5
[M+HCOO]- 338.00476 179.4
[M+CH3COO]- 352.02041 195.0
[M+Na-2H]- 313.98123 159.8
[M]+ 293.00601 160.9
[M]- 293.00711 160.9
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.