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

329
Patents

480.0229 Da
Monoisotopic Mass

-11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.03018 207.7
[M+Na]+ 503.01212 205.5
[M-H]- 479.01562 215.7
[M+NH4]+ 498.05672 208.6
[M+K]+ 518.98606 195.2
[M+H-H2O]+ 463.02016 170.5
[M+HCOO]- 525.02110 214.7
[M+CH3COO]- 539.03675 227.7
[M+Na-2H]- 500.99757 186.9
[M]+ 480.02235 201.4
[M]- 480.02345 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