CID 155572

Agn-pc-0jpkkc

Structural Information

Molecular Formula
C5H10O8P2
SMILES
C1C2(COP(=O)(O1)O)COP(=O)(OC2)O
InChI
InChI=1S/C5H10O8P2/c6-14(7)10-1-5(2-11-14)3-12-15(8,9)13-4-5/h1-4H2,(H,6,7)(H,8,9)
InChIKey
JFNUMGDTFPLKIU-UHFFFAOYSA-N
Compound name
3,9-dihydroxy-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecane 3,9-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

259.98508 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.99236 151.3
[M+Na]+ 282.97430 158.1
[M-H]- 258.97780 154.5
[M+NH4]+ 278.01890 167.7
[M+K]+ 298.94824 163.4
[M+H-H2O]+ 242.98234 143.0
[M+HCOO]- 304.98328 174.6
[M+CH3COO]- 318.99893 185.0
[M+Na-2H]- 280.95975 158.6
[M]+ 259.98453 152.5
[M]- 259.98563 152.5
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