CID 6455481

Hexanediol-1,6-diphosphate

Structural Information

Molecular Formula

C₆H₁₆O₈P₂

SMILES

C(CCCOP(=O)(O)O)CCOP(=O)(O)O

InChI

InChI=1S/C6H16O8P2/c7-15(8,9)13-5-3-1-2-4-6-14-16(10,11)12/h1-6H2,(H2,7,8,9)(H2,10,11,12)

InChIKey

WEFLHIGSMGJZMW-UHFFFAOYSA-N

Compound name

6-phosphonooxyhexyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7
Patents: 278.03204 Da
Monoisotopic Mass: -1.9
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]+	279.03932	159.7
[M+Na]+	301.02126	162.9
[M+NH4]+	296.06586	166.5
[M+K]+	316.99520	164.0
[M-H]-	277.02476	151.3
[M+Na-2H]-	299.00671	156.3
[M]+	278.03149	156.8
[M]-	278.03259	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe