CID 171508

56323-90-1

Structural Information

Molecular Formula
C19H30O4
SMILES
CCCCCCCCCC1=CC(=CC=C1)OCCOCC(=O)O
InChI
InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-10-17-11-9-12-18(15-17)23-14-13-22-16-19(20)21/h9,11-12,15H,2-8,10,13-14,16H2,1H3,(H,20,21)
InChIKey
WFPAOKOBDCHCJY-UHFFFAOYSA-N
Compound name
2-[2-(3-nonylphenoxy)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.