CID 24773

20427-84-3

Structural Information

Molecular Formula
C19H32O3
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCO
InChI
InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3
InChIKey
BLXVTZPGEOGTGG-UHFFFAOYSA-N
Compound name
2-[2-(4-nonylphenoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

1296
Patents

308.23514 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.24242 179.4
[M+Na]+ 331.22436 182.8
[M-H]- 307.22786 179.9
[M+NH4]+ 326.26896 193.6
[M+K]+ 347.19830 179.1
[M+H-H2O]+ 291.23240 171.6
[M+HCOO]- 353.23334 199.7
[M+CH3COO]- 367.24899 205.9
[M+Na-2H]- 329.20981 181.0
[M]+ 308.23459 185.7
[M]- 308.23569 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

literature stripe

Patent stripe

patents stripe