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 175.4
[M+Na]+ 321.14372 178.8
[M-H]- 297.14722 170.5
[M+NH4]+ 316.18832 189.7
[M+K]+ 337.11766 178.3
[M+H-H2O]+ 281.15176 167.3
[M+HCOO]- 343.15270 198.2
[M+CH3COO]- 357.16835 199.4
[M+Na-2H]- 319.12917 174.7
[M]+ 298.15395 183.5
[M]- 298.15505 183.5
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