CID 101091

Einecs 261-824-6

Structural Information

Molecular Formula
C15H30O6P2
SMILES
CC1(COP(OC1)OCC(C)(C)COP2OCC(CO2)(C)C)C
InChI
InChI=1S/C15H30O6P2/c1-13(2,7-16-22-18-9-14(3,4)10-19-22)8-17-23-20-11-15(5,6)12-21-23/h7-12H2,1-6H3
InChIKey
KGIIHYQJALVRLD-UHFFFAOYSA-N
Compound name
2-[3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

368.15176 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15904 195.8
[M+Na]+ 391.14098 198.7
[M-H]- 367.14448 200.9
[M+NH4]+ 386.18558 207.3
[M+K]+ 407.11492 204.1
[M+H-H2O]+ 351.14902 185.4
[M+HCOO]- 413.14996 216.8
[M+CH3COO]- 427.16561 217.2
[M+Na-2H]- 389.12643 197.0
[M]+ 368.15121 200.8
[M]- 368.15231 200.8
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