CID 90075108

Schembl15612767

Structural Information

Molecular Formula

C₃H₁₀O₆P₂

SMILES

C(C(C(OP(=O)(O)O)P)O)O

InChI

InChI=1S/C3H10O6P2/c4-1-2(5)3(10)9-11(6,7)8/h2-5H,1,10H2,(H2,6,7,8)

InChIKey

HRXOPMFYJUWSKK-UHFFFAOYSA-N

Compound name

(2,3-dihydroxy-1-phosphanylpropyl) dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 203.99525 Da
Monoisotopic Mass: -3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.002526	147.0
[M+Na]+	226.984468	152.4
[M-H]-	202.987974	139.6
[M+NH4]+	222.029073	163.9
[M+K]+	242.958408	152.7
[M+H-H2O]+	186.992510	138.5
[M+HCOO]-	248.993451	173.6
[M+CH3COO]-	263.009101	175.9
[M+Na-2H]-	224.969916	145.6
[M]+	203.99470142	148.5
[M]-	203.99579858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe