CID 406061

[phosphono(1-piperidyl)methyl]phosphonic acid

Structural Information

Molecular Formula
C6H15NO6P2
SMILES
C1CCN(CC1)C(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C6H15NO6P2/c8-14(9,10)6(15(11,12)13)7-4-2-1-3-5-7/h6H,1-5H2,(H2,8,9,10)(H2,11,12,13)
InChIKey
JTLZXDRXWWHVHX-UHFFFAOYSA-N
Compound name
[phosphono(piperidin-1-yl)methyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

43
Patents

259.03748 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04476 158.5
[M+Na]+ 282.02670 161.3
[M-H]- 258.03020 152.1
[M+NH4]+ 277.07130 171.3
[M+K]+ 298.00064 160.8
[M+H-H2O]+ 242.03474 148.9
[M+HCOO]- 304.03568 179.7
[M+CH3COO]- 318.05133 183.2
[M+Na-2H]- 280.01215 158.3
[M]+ 259.03693 153.9
[M]- 259.03803 153.9
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

No patent data available for this compound.