CID 86284

108149-59-3

Structural Information

Molecular Formula
C21H34O5
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCC(=O)O
InChI
InChI=1S/C21H34O5/c1-2-3-4-5-6-7-8-9-19-10-12-20(13-11-19)26-17-16-24-14-15-25-18-21(22)23/h10-13H,2-9,14-18H2,1H3,(H,22,23)
InChIKey
JYQIQTZWGQBTGK-UHFFFAOYSA-N
Compound name
2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.24063 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.24791 193.0
[M+Na]+ 389.22985 195.3
[M-H]- 365.23335 193.1
[M+NH4]+ 384.27445 204.5
[M+K]+ 405.20379 192.2
[M+H-H2O]+ 349.23789 184.5
[M+HCOO]- 411.23883 212.2
[M+CH3COO]- 425.25448 215.8
[M+Na-2H]- 387.21530 192.4
[M]+ 366.24008 201.6
[M]- 366.24118 201.6
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.