CID 3032832

2-[2-(nonylphenoxy)ethoxy]ethanol

Structural Information

Molecular Formula
C19H32O3
SMILES
CCCCCCCCCC1=CC=CC=C1OCCOCCO
InChI
InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-11-18-12-9-10-13-19(18)22-17-16-21-15-14-20/h9-10,12-13,20H,2-8,11,14-17H2,1H3
InChIKey
RRLGETDMEIMLQU-UHFFFAOYSA-N
Compound name
2-[2-(2-nonylphenoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

21
Patents

308.23514 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.242416 179.4
[M+Na]+ 331.224358 182.8
[M-H]- 307.227864 179.9
[M+NH4]+ 326.268963 193.6
[M+K]+ 347.198298 179.1
[M+H-H2O]+ 291.232400 171.6
[M+HCOO]- 353.233341 199.7
[M+CH3COO]- 367.248991 205.9
[M+Na-2H]- 329.209806 181.0
[M]+ 308.23459142 185.7
[M]- 308.23568858 185.7
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