CID 2392387

4-(4-ethoxyphenoxy)butanoic acid

Structural Information

Molecular Formula
C12H16O4
SMILES
CCOC1=CC=C(C=C1)OCCCC(=O)O
InChI
InChI=1S/C12H16O4/c1-2-15-10-5-7-11(8-6-10)16-9-3-4-12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)
InChIKey
ZXZNQXICNJXQOQ-UHFFFAOYSA-N
Compound name
4-(4-ethoxyphenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

224.10486 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.112136 149.3
[M+Na]+ 247.094078 155.7
[M-H]- 223.097584 151.3
[M+NH4]+ 242.138683 166.8
[M+K]+ 263.068018 154.2
[M+H-H2O]+ 207.102120 142.9
[M+HCOO]- 269.103061 171.4
[M+CH3COO]- 283.118711 187.0
[M+Na-2H]- 245.079526 153.5
[M]+ 224.10431142 153.2
[M]- 224.10540858 153.2
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

No patent data available for this compound.