CID 10468166

Deoxy risedronic acid

Structural Information

Molecular Formula

C₇H₁₁NO₆P₂

SMILES

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

InChI

InChI=1S/C7H11NO6P2/c9-15(10,11)7(16(12,13)14)4-6-2-1-3-8-5-6/h1-3,5,7H,4H2,(H2,9,10,11)(H2,12,13,14)

InChIKey

KZMOFWIRXNQJET-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 172
Patents: 267.00616 Da
Monoisotopic Mass: -2.4
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]+	268.01344	156.3
[M+Na]+	289.99538	162.5
[M+NH4]+	285.03998	158.7
[M+K]+	305.96932	163.0
[M-H]-	265.99888	150.9
[M+Na-2H]-	287.98083	157.1
[M]+	267.00561	154.9
[M]-	267.00671	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe