CID 116956

70942-40-4

Structural Information

Molecular Formula
C15H30O8P2
SMILES
CC1(COP(=O)(OC1)OCC(C)(C)COP2(=O)OCC(CO2)(C)C)C
InChI
InChI=1S/C15H30O8P2/c1-13(2,7-18-24(16)20-9-14(3,4)10-21-24)8-19-25(17)22-11-15(5,6)12-23-25/h7-12H2,1-6H3
InChIKey
AHJVKARLZRURJT-UHFFFAOYSA-N
Compound name
2-[3-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

400.1416 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14888 185.9
[M+Na]+ 423.13082 191.0
[M-H]- 399.13432 191.8
[M+NH4]+ 418.17542 200.0
[M+K]+ 439.10476 197.9
[M+H-H2O]+ 383.13886 177.8
[M+HCOO]- 445.13980 207.6
[M+CH3COO]- 459.15545 219.8
[M+Na-2H]- 421.11627 192.7
[M]+ 400.14105 193.9
[M]- 400.14215 193.9
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

patents stripe