CID 121592

(((2-hydroxyethyl)imino)dimethylene)diphosphonic acid, tetraethyl ester

Structural Information

Molecular Formula
C12H29NO7P2
SMILES
CCOP(=O)(CN(CCO)CP(=O)(OCC)OCC)OCC
InChI
InChI=1S/C12H29NO7P2/c1-5-17-21(15,18-6-2)11-13(9-10-14)12-22(16,19-7-3)20-8-4/h14H,5-12H2,1-4H3
InChIKey
AMXXNCJDNXZUSJ-UHFFFAOYSA-N
Compound name
2-[bis(diethoxyphosphorylmethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

361.14194 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14922 193.0
[M+Na]+ 384.13116 199.0
[M-H]- 360.13466 191.7
[M+NH4]+ 379.17576 198.7
[M+K]+ 400.10510 190.1
[M+H-H2O]+ 344.13920 178.0
[M+HCOO]- 406.14014 210.5
[M+CH3COO]- 420.15579 218.4
[M+Na-2H]- 382.11661 180.5
[M]+ 361.14139 191.0
[M]- 361.14249 191.0
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