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
3
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]+ 307.226756 178.7
[M+Na]+ 329.208698 182.2
[M-H]- 305.212204 179.3
[M+NH4]+ 324.253303 192.9
[M+K]+ 345.182638 178.3
[M+H-H2O]+ 289.216740 171.1
[M+HCOO]- 351.217681 198.2
[M+CH3COO]- 365.233331 205.9
[M+Na-2H]- 327.194146 179.0
[M]+ 306.21893142 183.7
[M]- 306.22002858 183.7
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.