CID 91997319

Ifdvysprchlcoz-uhfffaoysa-l

Structural Information

Molecular Formula
C9H21O10P
SMILES
C(CC(O)O)C(CC(O)O)C(CC(O)O)OP(=O)(O)O
InChI
InChI=1S/C9H21O10P/c10-7(11)2-1-5(3-8(12)13)6(4-9(14)15)19-20(16,17)18/h5-15H,1-4H2,(H2,16,17,18)
InChIKey
IFDVYSPRCHLCOZ-UHFFFAOYSA-N
Compound name
[4-(2,2-dihydroxyethyl)-1,1,7,7-tetrahydroxyheptan-3-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

320.08722 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09450 171.4
[M+Na]+ 343.07644 171.0
[M-H]- 319.07994 171.9
[M+NH4]+ 338.12104 167.5
[M+K]+ 359.05038 172.3
[M+H-H2O]+ 303.08448 164.0
[M+HCOO]- 365.08542 168.8
[M+CH3COO]- 379.10107 190.8
[M+Na-2H]- 341.06189 165.4
[M]+ 320.08667 164.9
[M]- 320.08777 164.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.