CID 3018026

2-ethylhexyl bis(2-hydroxyethyl) phosphate

Structural Information

Molecular Formula
C12H27O6P
SMILES
CCCCC(CC)COP(=O)(OCCO)OCCO
InChI
InChI=1S/C12H27O6P/c1-3-5-6-12(4-2)11-18-19(15,16-9-7-13)17-10-8-14/h12-14H,3-11H2,1-2H3
InChIKey
IMESRPGINJLXLK-UHFFFAOYSA-N
Compound name
2-ethylhexyl bis(2-hydroxyethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1545 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16178 171.2
[M+Na]+ 321.14372 176.1
[M+NH4]+ 316.18832 174.1
[M+K]+ 337.11766 173.6
[M-H]- 297.14722 165.7
[M+Na-2H]- 319.12917 169.2
[M]+ 298.15395 169.6
[M]- 298.15505 169.6
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.