CID 4347344

50974-47-5

Structural Information

Molecular Formula
C26H42O6
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOC(=O)C=C
InChI
InChI=1S/C26H42O6/c1-3-5-6-7-8-9-10-11-24-12-14-25(15-13-24)31-22-20-29-18-16-28-17-19-30-21-23-32-26(27)4-2/h4,12-15H,2-3,5-11,16-23H2,1H3
InChIKey
KKGMXDQKKSMZJN-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

450.29813 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.30541 216.2
[M+Na]+ 473.28735 216.9
[M-H]- 449.29085 216.7
[M+NH4]+ 468.33195 224.8
[M+K]+ 489.26129 213.7
[M+H-H2O]+ 433.29539 206.3
[M+HCOO]- 495.29633 235.6
[M+CH3COO]- 509.31198 233.3
[M+Na-2H]- 471.27280 213.7
[M]+ 450.29758 229.1
[M]- 450.29868 229.1
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

patents stripe