CID 170762

45300-87-6

Structural Information

Molecular Formula
C20H43O8P
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOP(=O)(O)O
InChI
InChI=1S/C20H43O8P/c1-2-3-4-5-6-7-8-9-10-11-12-24-13-14-25-15-16-26-17-18-27-19-20-28-29(21,22)23/h2-20H2,1H3,(H2,21,22,23)
InChIKey
PSBRNAUTQGUEPB-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

442.26956 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.27684 215.6
[M+Na]+ 465.25878 216.7
[M+NH4]+ 460.30338 217.7
[M+K]+ 481.23272 214.1
[M-H]- 441.26228 204.1
[M+Na-2H]- 463.24423 218.3
[M]+ 442.26901 212.5
[M]- 442.27011 212.5
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