CID 94526

42595-45-9

Structural Information

Molecular Formula
C15H31O9P3
SMILES
CCC1(COP(=O)(OC1)C)COP(=O)(C)OCC2(COP(=O)(OC2)C)CC
InChI
InChI=1S/C15H31O9P3/c1-6-14(8-19-25(3,16)20-9-14)12-23-27(5,18)24-13-15(7-2)10-21-26(4,17)22-11-15/h6-13H2,1-5H3
InChIKey
WUGSTSBQFHQUJQ-UHFFFAOYSA-N
Compound name
5-ethyl-5-[[(5-ethyl-2-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methoxy-methylphosphoryl]oxymethyl]-2-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

135
Patents

448.1181 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.12538 196.1
[M+Na]+ 471.10732 200.5
[M-H]- 447.11082 200.5
[M+NH4]+ 466.15192 208.5
[M+K]+ 487.08126 207.5
[M+H-H2O]+ 431.11536 185.6
[M+HCOO]- 493.11630 222.8
[M+CH3COO]- 507.13195 228.3
[M+Na-2H]- 469.09277 201.9
[M]+ 448.11755 205.5
[M]- 448.11865 205.5
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

patents stripe