CID 10637353

Diammonium {2-[(2r,3s,4s,5r)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl}phosphonate

Structural Information

Molecular Formula
C7H15O8P
SMILES
C(CP(=O)(O)O)[C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O
InChI
InChI=1S/C7H15O8P/c8-4-3(1-2-16(12,13)14)15-7(11)6(10)5(4)9/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5+,6-,7?/m1/s1
InChIKey
POGBMBNNYPHAGN-WLDMJGECSA-N
Compound name
2-[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.05045 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05773 155.4
[M+Na]+ 281.03967 160.6
[M-H]- 257.04317 150.4
[M+NH4]+ 276.08427 167.4
[M+K]+ 297.01361 160.1
[M+H-H2O]+ 241.04771 148.6
[M+HCOO]- 303.04865 171.2
[M+CH3COO]- 317.06430 181.9
[M+Na-2H]- 279.02512 155.2
[M]+ 258.04990 153.0
[M]- 258.05100 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.