CID 81779

2-(2-butoxyethoxy)ethanol phosphate (3:1)

Structural Information

Molecular Formula
C24H51O10P
SMILES
CCCCOCCOCCOP(=O)(OCCOCCOCCCC)OCCOCCOCCCC
InChI
InChI=1S/C24H51O10P/c1-4-7-10-26-13-16-29-19-22-32-35(25,33-23-20-30-17-14-27-11-8-5-2)34-24-21-31-18-15-28-12-9-6-3/h4-24H2,1-3H3
InChIKey
YETJDUSSMZWBME-UHFFFAOYSA-N
Compound name
tris[2-(2-butoxyethoxy)ethyl] phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
Patents

530.32196 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.32924 238.3
[M+Na]+ 553.31118 239.6
[M-H]- 529.31468 228.1
[M+NH4]+ 548.35578 243.1
[M+K]+ 569.28512 235.5
[M+H-H2O]+ 513.31922 231.1
[M+HCOO]- 575.32016 253.4
[M+CH3COO]- 589.33581 246.2
[M+Na-2H]- 551.29663 220.6
[M]+ 530.32141 239.4
[M]- 530.32251 239.4
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