CID 11218028

2-(4-ethoxyphenyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C12H16O3
SMILES
CCOC1=CC=C(C=C1)C(C)(C)C(=O)O
InChI
InChI=1S/C12H16O3/c1-4-15-10-7-5-9(6-8-10)12(2,3)11(13)14/h5-8H,4H2,1-3H3,(H,13,14)
InChIKey
LDOMMNCPNTZTQW-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

208.10994 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 146.4
[M+Na]+ 231.09916 157.6
[M+NH4]+ 226.14376 153.5
[M+K]+ 247.07310 152.9
[M-H]- 207.10266 146.7
[M+Na-2H]- 229.08461 151.7
[M]+ 208.10939 148.0
[M]- 208.11049 148.0
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

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