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 253.7
[M+Na]+ 613.33236 253.6
[M-H]- 589.33586 246.6
[M+NH4]+ 608.37696 260.7
[M+K]+ 629.30630 251.1
[M+H-H2O]+ 573.34040 246.3
[M+HCOO]- 635.34134 261.2
[M+CH3COO]- 649.35699 254.4
[M+Na-2H]- 611.31781 234.4
[M]+ 590.34259 255.1
[M]- 590.34369 255.1
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.