CID 182170

34166-38-6

Structural Information

Molecular Formula
C27H48O7
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C27H48O7/c1-2-3-4-5-6-7-8-9-26-10-12-27(13-11-26)34-25-24-33-23-22-32-21-20-31-19-18-30-17-16-29-15-14-28/h10-13,28H,2-9,14-25H2,1H3
InChIKey
CEWJCLBGTPZECP-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

484.34 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.34728 223.4
[M+Na]+ 507.32922 222.5
[M-H]- 483.33272 222.0
[M+NH4]+ 502.37382 229.8
[M+K]+ 523.30316 219.7
[M+H-H2O]+ 467.33726 212.9
[M+HCOO]- 529.33820 241.7
[M+CH3COO]- 543.35385 236.9
[M+Na-2H]- 505.31467 221.4
[M]+ 484.33945 238.3
[M]- 484.34055 238.3
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