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]+ 225.11214 149.3
[M+Na]+ 247.09408 155.7
[M-H]- 223.09758 151.3
[M+NH4]+ 242.13868 166.8
[M+K]+ 263.06802 154.2
[M+H-H2O]+ 207.10212 142.9
[M+HCOO]- 269.10306 171.4
[M+CH3COO]- 283.11871 187.0
[M+Na-2H]- 245.07953 153.5
[M]+ 224.10431 153.2
[M]- 224.10541 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.