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
2
Annotation Hits

0
References

1
Patents

298.1545 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.161776 175.4
[M+Na]+ 321.143718 178.8
[M-H]- 297.147224 170.5
[M+NH4]+ 316.188323 189.7
[M+K]+ 337.117658 178.3
[M+H-H2O]+ 281.151760 167.3
[M+HCOO]- 343.152701 198.2
[M+CH3COO]- 357.168351 199.4
[M+Na-2H]- 319.129166 174.7
[M]+ 298.15395142 183.5
[M]- 298.15504858 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