CID 113138

63217-10-7

Structural Information

Molecular Formula
C26H55O12P
SMILES
CC(C)CCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCC(C)C
InChI
InChI=1S/C26H55O12P/c1-25(2)5-7-29-9-11-31-13-15-33-17-19-35-21-23-37-39(27,28)38-24-22-36-20-18-34-16-14-32-12-10-30-8-6-26(3)4/h25-26H,5-24H2,1-4H3,(H,27,28)
InChIKey
JCYSNWJUDYRPMA-UHFFFAOYSA-N
Compound name
bis[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

590.34314 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.35042 251.1
[M+Na]+ 613.33236 250.0
[M+NH4]+ 608.37696 257.4
[M+K]+ 629.30630 250.2
[M-H]- 589.33586 241.5
[M+Na-2H]- 611.31781 252.1
[M]+ 590.34259 249.2
[M]- 590.34369 249.2
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.