CID 5161546

89280-71-7

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 163.4
[M+Na]+ 297.03759 167.0
[M-H]- 273.04109 155.9
[M+NH4]+ 292.08219 174.5
[M+K]+ 313.01153 166.1
[M+H-H2O]+ 257.04563 152.9
[M+HCOO]- 319.04657 184.1
[M+CH3COO]- 333.06222 186.5
[M+Na-2H]- 295.02304 163.6
[M]+ 274.04782 160.1
[M]- 274.04892 160.1
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