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
2
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 181.5
[M+Na]+ 345.20364 184.8
[M-H]- 321.20714 182.0
[M+NH4]+ 340.24824 194.9
[M+K]+ 361.17758 181.6
[M+H-H2O]+ 305.21168 173.7
[M+HCOO]- 367.21262 201.2
[M+CH3COO]- 381.22827 207.9
[M+Na-2H]- 343.18909 181.9
[M]+ 322.21387 187.9
[M]- 322.21497 187.9
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.