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]+ 367.247906 193.0
[M+Na]+ 389.229848 195.3
[M-H]- 365.233354 193.1
[M+NH4]+ 384.274453 204.5
[M+K]+ 405.203788 192.2
[M+H-H2O]+ 349.237890 184.5
[M+HCOO]- 411.238831 212.2
[M+CH3COO]- 425.254481 215.8
[M+Na-2H]- 387.215296 192.4
[M]+ 366.24008142 201.6
[M]- 366.24117858 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.