CID 92034898

28212-44-4

Structural Information

Molecular Formula
C19H30O3
SMILES
CCCCCCCCCC1=CC=C(C=C1)CCOCC(=O)O
InChI
InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)14-15-22-16-19(20)21/h10-13H,2-9,14-16H2,1H3,(H,20,21)
InChIKey
WLOFTFPPFVMPHP-UHFFFAOYSA-N
Compound name
2-[2-(4-nonylphenyl)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

306.21948 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.22676 178.1
[M+Na]+ 329.20870 188.2
[M+NH4]+ 324.25330 184.2
[M+K]+ 345.18264 180.4
[M-H]- 305.21220 178.7
[M+Na-2H]- 327.19415 181.6
[M]+ 306.21893 179.5
[M]- 306.22003 179.5
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.