CID 86267

2-(2-(4-nonylphenoxy)ethoxy)acetic acid

Structural Information

Molecular Formula
C19H30O4
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCC(=O)O
InChI
InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)23-15-14-22-16-19(20)21/h10-13H,2-9,14-16H2,1H3,(H,20,21)
InChIKey
RAQHOBRSMPMJIP-UHFFFAOYSA-N
Compound name
2-[2-(4-nonylphenoxy)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

322.21442 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.22170 181.0
[M+Na]+ 345.20364 190.5
[M+NH4]+ 340.24824 186.4
[M+K]+ 361.17758 183.4
[M-H]- 321.20714 181.0
[M+Na-2H]- 343.18909 184.0
[M]+ 322.21387 182.1
[M]- 322.21497 182.1
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