CID 1596920

Diethyl (aminomethyl)phosphonate

Structural Information

Molecular Formula
C5H14NO3P
SMILES
CCOP(=O)(CN)OCC
InChI
InChI=1S/C5H14NO3P/c1-3-8-10(7,5-6)9-4-2/h3-6H2,1-2H3
InChIKey
UIBCDEFKKLRXHR-UHFFFAOYSA-N
Compound name
diethoxyphosphorylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

844
Patents

167.07114 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07842 137.8
[M+Na]+ 190.06036 144.7
[M-H]- 166.06386 136.5
[M+NH4]+ 185.10496 158.5
[M+K]+ 206.03430 145.2
[M+H-H2O]+ 150.06840 130.8
[M+HCOO]- 212.06934 166.7
[M+CH3COO]- 226.08499 180.7
[M+Na-2H]- 188.04581 141.6
[M]+ 167.07059 141.6
[M]- 167.07169 141.6
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

patents stripe