CID 172407964

Chebi:232393

Structural Information

Molecular Formula
C7H15O9P
SMILES
C([C@H](COP(=O)(O)OC[C@H](COC=O)O)O)O
InChI
InChI=1S/C7H15O9P/c8-1-6(10)3-15-17(12,13)16-4-7(11)2-14-5-9/h5-8,10-11H,1-4H2,(H,12,13)/t6-,7+/m1/s1
InChIKey
NYPAQEAQEOGEDF-RQJHMYQMSA-N
Compound name
[(2S)-3-[[(2R)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] formate
Related CIDs

2D Structure

compound 2d structure
1
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]+ 275.05266 156.3
[M+Na]+ 297.03460 160.3
[M-H]- 273.03810 149.4
[M+NH4]+ 292.07920 161.6
[M+K]+ 313.00854 161.2
[M+H-H2O]+ 257.04264 148.8
[M+HCOO]- 319.04358 174.1
[M+CH3COO]- 333.05923 186.5
[M+Na-2H]- 295.02005 156.9
[M]+ 274.04483 161.6
[M]- 274.04593 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.