PubChemLite - Dtxsid90889361 (C6H13O9P)

Structural Information

Molecular Formula

C₆H₁₃O₉P

SMILES

C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O

InChI

InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1

InChIKey

BGWGXPAPYGQALX-ARQDHWQXSA-N

Compound name

[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate

Related CIDs

2D Structure

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]+	261.03700	150.2
[M+Na]+	283.01894	156.2
[M-H]-	259.02244	145.4
[M+NH4]+	278.06354	165.5
[M+K]+	298.99288	156.5
[M+H-H2O]+	243.02698	145.3
[M+HCOO]-	305.02792	168.5
[M+CH3COO]-	319.04357	178.8
[M+Na-2H]-	281.00439	152.9
[M]+	260.02917	150.8
[M]-	260.03027	150.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

261.03700

150.2

[M+Na]+

283.01894

156.2

[M-H]-

259.02244

145.4

[M+NH4]+

278.06354

165.5

[M+K]+

298.99288

156.5

[M+H-H2O]+

243.02698

145.3

[M+HCOO]-

305.02792

168.5

[M+CH3COO]-

319.04357

178.8

[M+Na-2H]-

281.00439

152.9

[M]+

260.02917

150.8

[M]-

260.03027

150.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dtxsid90889361

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe