CID 104106

2-(4-acetylphenoxy)-2-methylpropanoic acid

Structural Information

Molecular Formula
C12H14O4
SMILES
CC(=O)C1=CC=C(C=C1)OC(C)(C)C(=O)O
InChI
InChI=1S/C12H14O4/c1-8(13)9-4-6-10(7-5-9)16-12(2,3)11(14)15/h4-7H,1-3H3,(H,14,15)
InChIKey
CDUYSGJRDZEJPK-UHFFFAOYSA-N
Compound name
2-(4-acetylphenoxy)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

39
Patents

222.0892 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.096476 146.8
[M+Na]+ 245.078418 153.8
[M-H]- 221.081924 149.3
[M+NH4]+ 240.123023 164.4
[M+K]+ 261.052358 152.7
[M+H-H2O]+ 205.086460 141.5
[M+HCOO]- 267.087401 166.7
[M+CH3COO]- 281.103051 187.4
[M+Na-2H]- 243.063866 150.8
[M]+ 222.08865142 149.0
[M]- 222.08974858 149.0
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

patents stripe