CID 170762

3,6,9,12-tetraoxatetracosan-1-ol, 1-(dihydrogen phosphate)

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
2
Annotation Hits

0
References

146
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 213.3
[M+Na]+ 465.25878 214.5
[M-H]- 441.26228 202.6
[M+NH4]+ 460.30338 212.2
[M+K]+ 481.23272 209.0
[M+H-H2O]+ 425.26682 204.0
[M+HCOO]- 487.26776 226.9
[M+CH3COO]- 501.28341 226.3
[M+Na-2H]- 463.24423 197.1
[M]+ 442.26901 211.4
[M]- 442.27011 211.4
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

patents stripe