CID 199791

Piperidinophosphonic acid diethyl ester

Structural Information

Molecular Formula
C9H20NO3P
SMILES
CCOP(=O)(N1CCCCC1)OCC
InChI
InChI=1S/C9H20NO3P/c1-3-12-14(11,13-4-2)10-8-6-5-7-9-10/h3-9H2,1-2H3
InChIKey
YUGUNXGHQJDZJY-UHFFFAOYSA-N
Compound name
1-diethoxyphosphorylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

221.11809 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12537 152.7
[M+Na]+ 244.10731 156.9
[M-H]- 220.11081 152.5
[M+NH4]+ 239.15191 170.0
[M+K]+ 260.08125 156.9
[M+H-H2O]+ 204.11535 143.8
[M+HCOO]- 266.11629 176.0
[M+CH3COO]- 280.13194 187.7
[M+Na-2H]- 242.09276 154.9
[M]+ 221.11754 153.5
[M]- 221.11864 153.5
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