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

175
Patents

267.00616 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.01344 160.3
[M+Na]+ 289.99538 165.5
[M-H]- 265.99888 154.9
[M+NH4]+ 285.03998 172.9
[M+K]+ 305.96932 164.2
[M+H-H2O]+ 250.00342 150.1
[M+HCOO]- 312.00436 185.3
[M+CH3COO]- 326.02001 184.9
[M+Na-2H]- 287.98083 161.9
[M]+ 267.00561 159.9
[M]- 267.00671 159.9
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