CID 5161546

(piperazine-1,4-diylbis(methylene))bis(phosphonic acid)

Structural Information

Molecular Formula
C6H16N2O6P2
SMILES
C1CN(CCN1CP(=O)(O)O)CP(=O)(O)O
InChI
InChI=1S/C6H16N2O6P2/c9-15(10,11)5-7-1-2-8(4-3-7)6-16(12,13)14/h1-6H2,(H2,9,10,11)(H2,12,13,14)
InChIKey
FAXRDTPTCXSAGH-UHFFFAOYSA-N
Compound name
[4-(phosphonomethyl)piperazin-1-yl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.04837 Da
Monoisotopic Mass

-7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05565 158.6
[M+Na]+ 297.03759 162.7
[M+NH4]+ 292.08219 160.3
[M+K]+ 313.01153 163.8
[M-H]- 273.04109 152.1
[M+Na-2H]- 295.02304 156.8
[M]+ 274.04782 156.4
[M]- 274.04892 156.4
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