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
4
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]+ 209.117216 145.8
[M+Na]+ 231.099158 152.9
[M-H]- 207.102664 148.3
[M+NH4]+ 226.143763 164.3
[M+K]+ 247.073098 151.3
[M+H-H2O]+ 191.107200 140.6
[M+HCOO]- 253.108141 166.3
[M+CH3COO]- 267.123791 185.3
[M+Na-2H]- 229.084606 150.9
[M]+ 208.10939142 147.9
[M]- 208.11048858 147.9
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

patents stripe