CID 5276554

[[benzyl(methyl)amino]-phosphono-methyl]phosphonic acid

Structural Information

Molecular Formula
C9H15NO6P2
SMILES
CN(CC1=CC=CC=C1)C(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C9H15NO6P2/c1-10(7-8-5-3-2-4-6-8)9(17(11,12)13)18(14,15)16/h2-6,9H,7H2,1H3,(H2,11,12,13)(H2,14,15,16)
InChIKey
FOXDWSGGTHOPOM-UHFFFAOYSA-N
Compound name
[[benzyl(methyl)amino]-phosphonomethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

295.03748 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.04476 166.4
[M+Na]+ 318.02670 170.1
[M-H]- 294.03020 163.4
[M+NH4]+ 313.07130 179.5
[M+K]+ 334.00064 170.0
[M+H-H2O]+ 278.03474 156.2
[M+HCOO]- 340.03568 193.7
[M+CH3COO]- 354.05133 196.7
[M+Na-2H]- 316.01215 167.0
[M]+ 295.03693 166.8
[M]- 295.03803 166.8
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.