CID 105406

((methylimino)dimethylene)diphosphonic acid, tetraethyl ester

Structural Information

Molecular Formula
C11H27NO6P2
SMILES
CCOP(=O)(CN(C)CP(=O)(OCC)OCC)OCC
InChI
InChI=1S/C11H27NO6P2/c1-6-15-19(13,16-7-2)10-12(5)11-20(14,17-8-3)18-9-4/h6-11H2,1-5H3
InChIKey
QDJFMANPABZOAK-UHFFFAOYSA-N
Compound name
1-diethoxyphosphoryl-N-(diethoxyphosphorylmethyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.13135 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13863 187.3
[M+Na]+ 354.12057 195.1
[M-H]- 330.12407 186.2
[M+NH4]+ 349.16517 194.7
[M+K]+ 370.09451 185.8
[M+H-H2O]+ 314.12861 170.2
[M+HCOO]- 376.12955 207.0
[M+CH3COO]- 390.14520 215.9
[M+Na-2H]- 352.10602 181.6
[M]+ 331.13080 186.6
[M]- 331.13190 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.