CID 102004073

Methyl 2-[2-(4-nonylphenoxy)ethoxy]acetate

Structural Information

Molecular Formula
C20H32O4
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCC(=O)OC
InChI
InChI=1S/C20H32O4/c1-3-4-5-6-7-8-9-10-18-11-13-19(14-12-18)24-16-15-23-17-20(21)22-2/h11-14H,3-10,15-17H2,1-2H3
InChIKey
IKIJTQLMHCEGJB-UHFFFAOYSA-N
Compound name
methyl 2-[2-(4-nonylphenoxy)ethoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.23007 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.237346 186.1
[M+Na]+ 359.219288 189.5
[M-H]- 335.222794 187.9
[M+NH4]+ 354.263893 199.7
[M+K]+ 375.193228 187.0
[M+H-H2O]+ 319.227330 177.8
[M+HCOO]- 381.228271 207.0
[M+CH3COO]- 395.243921 212.7
[M+Na-2H]- 357.204736 186.4
[M]+ 336.22952142 194.7
[M]- 336.23061858 194.7
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

No patent data available for this compound.