CID 56843371

Dtxsid8072243

Structural Information

Molecular Formula
C7H20N2O6P2
SMILES
CN(C)CCCN(CP(=O)(O)O)CP(=O)(O)O
InChI
InChI=1S/C7H20N2O6P2/c1-8(2)4-3-5-9(6-16(10,11)12)7-17(13,14)15/h3-7H2,1-2H3,(H2,10,11,12)(H2,13,14,15)
InChIKey
FBRCQROWYLWUAF-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)propyl-(phosphonomethyl)amino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

290.07965 Da
Monoisotopic Mass

-7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08693 167.4
[M+Na]+ 313.06887 170.6
[M-H]- 289.07237 162.3
[M+NH4]+ 308.11347 173.9
[M+K]+ 329.04281 172.0
[M+H-H2O]+ 273.07691 157.6
[M+HCOO]- 335.07785 184.6
[M+CH3COO]- 349.09350 202.7
[M+Na-2H]- 311.05432 167.7
[M]+ 290.07910 171.0
[M]- 290.08020 171.0
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