CID 109871

Decylpentaethoxyphosphate, bis(triethanolamine) salt

Structural Information

Molecular Formula
C20H43O9P
SMILES
CCCCCCCCCCOCCOCCOCCOCCOCCOP(=O)(O)O
InChI
InChI=1S/C20H43O9P/c1-2-3-4-5-6-7-8-9-10-24-11-12-25-13-14-26-15-16-27-17-18-28-19-20-29-30(21,22)23/h2-20H2,1H3,(H2,21,22,23)
InChIKey
ORAGTBPEKRJHSC-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.26447 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.27175 217.1
[M+Na]+ 481.25369 217.6
[M-H]- 457.25719 207.0
[M+NH4]+ 476.29829 216.6
[M+K]+ 497.22763 212.0
[M+H-H2O]+ 441.26173 207.8
[M+HCOO]- 503.26267 230.5
[M+CH3COO]- 517.27832 228.2
[M+Na-2H]- 479.23914 200.3
[M]+ 458.26392 215.3
[M]- 458.26502 215.4
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.