CID 182668

Triethylene glycol mono(p-nonylphenyl) ether

Structural Information

Molecular Formula
C21H36O4
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCO
InChI
InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-20-10-12-21(13-11-20)25-19-18-24-17-16-23-15-14-22/h10-13,22H,2-9,14-19H2,1H3
InChIKey
ZIJRVWRFZGXKMY-UHFFFAOYSA-N
Compound name
2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

372
Patents

352.26135 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.268626 191.1
[M+Na]+ 375.250568 193.4
[M-H]- 351.254074 191.1
[M+NH4]+ 370.295173 203.4
[M+K]+ 391.224508 189.8
[M+H-H2O]+ 335.258610 182.6
[M+HCOO]- 397.259551 210.9
[M+CH3COO]- 411.275201 213.7
[M+Na-2H]- 373.236016 191.6
[M]+ 352.26080142 199.5
[M]- 352.26189858 199.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe