CID 439191

3-phospho-d-glyceroyl dihydrogen phosphate

Structural Information

Molecular Formula
C3H8O10P2
SMILES
C([C@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O
InChI
InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1
InChIKey
LJQLQCAXBUHEAZ-UWTATZPHSA-N
Compound name
phosphono (2R)-2-hydroxy-3-phosphonooxypropanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

155
References

1895
Patents

265.95926 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.96654 150.0
[M+Na]+ 288.94848 154.9
[M-H]- 264.95198 155.1
[M+NH4]+ 283.99308 153.0
[M+K]+ 304.92242 156.6
[M+H-H2O]+ 248.95652 141.5
[M+HCOO]- 310.95746 166.6
[M+CH3COO]- 324.97311 181.1
[M+Na-2H]- 286.93393 151.7
[M]+ 265.95871 148.8
[M]- 265.95981 148.8
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