CID 419750

Diethyl 1-amino-2-methylpropylphosphonate

Structural Information

Molecular Formula
C8H20NO3P
SMILES
CCOP(=O)(C(C(C)C)N)OCC
InChI
InChI=1S/C8H20NO3P/c1-5-11-13(10,12-6-2)8(9)7(3)4/h7-8H,5-6,9H2,1-4H3
InChIKey
UUSMBCSSWVSVGA-UHFFFAOYSA-N
Compound name
1-diethoxyphosphoryl-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

209.11809 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12537 152.4
[M+Na]+ 232.10731 157.6
[M-H]- 208.11081 150.8
[M+NH4]+ 227.15191 171.4
[M+K]+ 248.08125 158.4
[M+H-H2O]+ 192.11535 145.1
[M+HCOO]- 254.11629 178.4
[M+CH3COO]- 268.13194 191.5
[M+Na-2H]- 230.09276 152.1
[M]+ 209.11754 156.1
[M]- 209.11864 156.1
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