CID 3305

Etidronic acid

Structural Information

Molecular Formula
C2H8O7P2
SMILES
CC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)
InChIKey
DBVJJBKOTRCVKF-UHFFFAOYSA-N
Compound name
(1-hydroxy-1-phosphonoethyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

3246
References

103507
Patents

205.97453 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.98181 140.5
[M+Na]+ 228.96375 144.2
[M+NH4]+ 224.00835 142.3
[M+K]+ 244.93769 147.1
[M-H]- 204.96725 131.7
[M+Na-2H]- 226.94920 137.9
[M]+ 205.97398 137.7
[M]- 205.97508 137.7
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