CID 18380

2-(4-nonylphenoxy)acetic acid

Structural Information

Molecular Formula
C17H26O3
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCC(=O)O
InChI
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)20-14-17(18)19/h10-13H,2-9,14H2,1H3,(H,18,19)
InChIKey
NISAHDHKGPWBEM-UHFFFAOYSA-N
Compound name
2-(4-nonylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2033
Patents

278.1882 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.19548 169.6
[M+Na]+ 301.17742 173.9
[M-H]- 277.18092 170.6
[M+NH4]+ 296.22202 184.9
[M+K]+ 317.15136 170.6
[M+H-H2O]+ 261.18546 162.4
[M+HCOO]- 323.18640 189.8
[M+CH3COO]- 337.20205 199.9
[M+Na-2H]- 299.16287 171.0
[M]+ 278.18765 173.9
[M]- 278.18875 173.9
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