CID 198716

Olpadronic acid

Structural Information

Molecular Formula
C5H15NO7P2
SMILES
CN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C5H15NO7P2/c1-6(2)4-3-5(7,14(8,9)10)15(11,12)13/h7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13)
InChIKey
UGEPSJNLORCRBO-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)-1-hydroxy-1-phosphonopropyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

64
References

5402
Patents

263.03238 Da
Monoisotopic Mass

-5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.03966 160.0
[M+Na]+ 286.02160 164.4
[M-H]- 262.02510 152.7
[M+NH4]+ 281.06620 152.0
[M+K]+ 301.99554 165.1
[M+H-H2O]+ 246.02964 151.8
[M+HCOO]- 308.03058 168.2
[M+CH3COO]- 322.04623 188.8
[M+Na-2H]- 284.00705 162.9
[M]+ 263.03183 161.3
[M]- 263.03293 161.3
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