CID 439964

Bis(2,3-dihydroxypropyl) phosphate

Structural Information

Molecular Formula
C6H15O8P
SMILES
C(C(COP(=O)(O)OCC(CO)O)O)O
InChI
InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)
InChIKey
LLCSXHMJULHSJN-UHFFFAOYSA-N
Compound name
bis(2,3-dihydroxypropyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

886
Patents

246.05046 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05774 152.0
[M+Na]+ 269.03968 155.1
[M+NH4]+ 264.08428 153.5
[M+K]+ 285.01362 156.9
[M-H]- 245.04318 143.8
[M+Na-2H]- 267.02513 148.3
[M]+ 246.04991 149.1
[M]- 246.05101 149.1
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