CID 419298

Diethyl amino(4-methoxyphenyl)methylphosphonate

Structural Information

Molecular Formula
C12H20NO4P
SMILES
CCOP(=O)(C(C1=CC=C(C=C1)OC)N)OCC
InChI
InChI=1S/C12H20NO4P/c1-4-16-18(14,17-5-2)12(13)10-6-8-11(15-3)9-7-10/h6-9,12H,4-5,13H2,1-3H3
InChIKey
LUCBUBZCLGCAFD-UHFFFAOYSA-N
Compound name
diethoxyphosphoryl-(4-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

273.113 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12028 164.6
[M+Na]+ 296.10222 170.2
[M-H]- 272.10572 166.2
[M+NH4]+ 291.14682 180.8
[M+K]+ 312.07616 169.6
[M+H-H2O]+ 256.11026 155.6
[M+HCOO]- 318.11120 192.0
[M+CH3COO]- 332.12685 201.4
[M+Na-2H]- 294.08767 165.6
[M]+ 273.11245 169.4
[M]- 273.11355 169.4
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