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

13
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

No literature data available for this compound.

Patent stripe

patents stripe