CID 168475438

Chebi:27923

Structural Information

Molecular Formula
C7H15O9P
SMILES
C([C@H](COP(=O)(O)OCC(CO)O)OC=O)O
InChI
InChI=1S/C7H15O9P/c8-1-6(11)3-15-17(12,13)16-4-7(2-9)14-5-10/h5-9,11H,1-4H2,(H,12,13)/t6?,7-/m1/s1
InChIKey
SJVNPNJKEYJNQW-COBSHVIPSA-N
Compound name
[(2R)-1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] formate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

274.04538 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.052656 156.3
[M+Na]+ 297.034598 160.3
[M-H]- 273.038104 149.4
[M+NH4]+ 292.079203 161.6
[M+K]+ 313.008538 161.2
[M+H-H2O]+ 257.042640 148.8
[M+HCOO]- 319.043581 174.1
[M+CH3COO]- 333.059231 186.5
[M+Na-2H]- 295.020046 156.9
[M]+ 274.04483142 161.6
[M]- 274.04592858 161.6
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.