CID 5245

Risedronic acid

Structural Information

Molecular Formula

C₇H₁₁NO₇P₂

SMILES

C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)

InChIKey

IIDJRNMFWXDHID-UHFFFAOYSA-N

Compound name

(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 2089
References: 37496
Patents: 283.00107 Da
Monoisotopic Mass: -3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	284.00835	164.9
[M+Na]+	305.99029	169.8
[M-H]-	281.99379	158.2
[M+NH4]+	301.03489	176.0
[M+K]+	321.96423	168.5
[M+H-H2O]+	265.99833	155.1
[M+HCOO]-	327.99927	187.8
[M+CH3COO]-	342.01492	184.9
[M+Na-2H]-	303.97574	169.1
[M]+	283.00052	163.9
[M]-	283.00162	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe