CID 119758

27942-27-4

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
4
Annotation Hits

0
References

182
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 233.3
[M+Na]+ 551.35542 231.3
[M-H]- 527.35892 231.4
[M+NH4]+ 546.40002 224.9
[M+K]+ 567.32936 228.7
[M+H-H2O]+ 511.36346 222.1
[M+HCOO]- 573.36440 241.4
[M+CH3COO]- 587.38005 244.4
[M+Na-2H]- 549.34087 230.6
[M]+ 528.36565 250.2
[M]- 528.36675 250.2
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

patents stripe