PubChemLite - Inositol phosphate (C6H13O9P)

Structural Information

Molecular Formula

C₆H₁₃O₉P

SMILES

[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)(O)O)O)O

InChI

InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1?,2-,3+,4-,5-,6?/m1/s1

InChIKey

INAPMGSXUVUWAF-GCVPSNMTSA-N

Compound name

[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 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	151.1
[M+Na]+	283.01894	156.8
[M-H]-	259.02244	144.5
[M+NH4]+	278.06354	163.7
[M+K]+	298.99288	155.8
[M+H-H2O]+	243.02698	144.9
[M+HCOO]-	305.02792	166.7
[M+CH3COO]-	319.04357	180.8
[M+Na-2H]-	281.00439	149.8
[M]+	260.02917	147.7
[M]-	260.03027	147.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

261.03700

151.1

[M+Na]+

283.01894

156.8

[M-H]-

259.02244

144.5

[M+NH4]+

278.06354

163.7

[M+K]+

298.99288

155.8

[M+H-H2O]+

243.02698

144.9

[M+HCOO]-

305.02792

166.7

[M+CH3COO]-

319.04357

180.8

[M+Na-2H]-

281.00439

149.8

[M]+

260.02917

147.7

[M]-

260.03027

147.7

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

Inositol phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe