CID 130956

Minodronic acid

Structural Information

Molecular Formula
C9H12N2O7P2
SMILES
C1=CC2=NC=C(N2C=C1)CC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)
InChIKey
VMMKGHQPQIEGSQ-UHFFFAOYSA-N
Compound name
(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

153
References

6824
Patents

322.01196 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.01924 173.4
[M+Na]+ 345.00118 179.3
[M-H]- 321.00468 167.2
[M+NH4]+ 340.04578 184.4
[M+K]+ 360.97512 177.9
[M+H-H2O]+ 305.00922 163.4
[M+HCOO]- 367.01016 195.7
[M+CH3COO]- 381.02581 192.4
[M+Na-2H]- 342.98663 178.2
[M]+ 322.01141 174.1
[M]- 322.01251 174.1
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