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

11
Patents

278.03204 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.03932 163.5
[M+Na]+ 301.02126 168.2
[M-H]- 277.02476 155.7
[M+NH4]+ 296.06586 157.4
[M+K]+ 316.99520 168.0
[M+H-H2O]+ 261.02930 154.4
[M+HCOO]- 323.03024 178.0
[M+CH3COO]- 337.04589 187.3
[M+Na-2H]- 299.00671 165.5
[M]+ 278.03149 168.9
[M]- 278.03259 168.9
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