CID 119758

20-(4-nonylphenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol

Structural Information

Molecular Formula
C29H52O8
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C29H52O8/c1-2-3-4-5-6-7-8-9-28-10-12-29(13-11-28)37-27-26-36-25-24-35-23-22-34-21-20-33-19-18-32-17-16-31-15-14-30/h10-13,30H,2-9,14-27H2,1H3
InChIKey
ATBQNLZREVOGBO-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

528.3662 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.37348 236.1
[M+Na]+ 551.35542 241.7
[M+NH4]+ 546.40002 239.4
[M+K]+ 567.32936 238.4
[M-H]- 527.35892 224.9
[M+Na-2H]- 549.34087 235.1
[M]+ 528.36565 235.8
[M]- 528.36675 235.8
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