CID 405368

(5-amino-1-hydroxy-1-phosphono-pentyl)phosphonic acid

Structural Information

Molecular Formula
C5H15NO7P2
SMILES
C(CCN)CC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C5H15NO7P2/c6-4-2-1-3-5(7,14(8,9)10)15(11,12)13/h7H,1-4,6H2,(H2,8,9,10)(H2,11,12,13)
InChIKey
DXGBLRMRXHGUFX-UHFFFAOYSA-N
Compound name
(5-amino-1-hydroxy-1-phosphonopentyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

115
Patents

263.03238 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.03966 162.6
[M+Na]+ 286.02160 166.7
[M-H]- 262.02510 153.2
[M+NH4]+ 281.06620 141.5
[M+K]+ 301.99554 165.6
[M+H-H2O]+ 246.02964 154.2
[M+HCOO]- 308.03058 162.4
[M+CH3COO]- 322.04623 185.4
[M+Na-2H]- 284.00705 164.9
[M]+ 263.03183 161.5
[M]- 263.03293 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe