CID 10394240

Phosphonic acid, p,p',p'',p'''-(oxybis(2,1-ethanediylnitrilobis(methylene)))tetrakis-

Structural Information

Molecular Formula
C8H24N2O13P4
SMILES
C(COCCN(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O
InChI
InChI=1S/C8H24N2O13P4/c11-24(12,13)5-9(6-25(14,15)16)1-3-23-4-2-10(7-26(17,18)19)8-27(20,21)22/h1-8H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)
InChIKey
YSMAMMWBEBTNEH-UHFFFAOYSA-N
Compound name
[2-[2-[bis(phosphonomethyl)amino]ethoxy]ethyl-(phosphonomethyl)amino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

292
Patents

480.0229 Da
Monoisotopic Mass

-11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.030176 207.7
[M+Na]+ 503.012118 205.5
[M-H]- 479.015624 215.7
[M+NH4]+ 498.056723 208.6
[M+K]+ 518.986058 195.2
[M+H-H2O]+ 463.020160 170.5
[M+HCOO]- 525.021101 214.7
[M+CH3COO]- 539.036751 227.7
[M+Na-2H]- 500.997566 186.9
[M]+ 480.02235142 201.4
[M]- 480.02344858 201.4
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