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

25
Patents

222.0892 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 146.8
[M+Na]+ 245.07842 153.8
[M-H]- 221.08192 149.3
[M+NH4]+ 240.12302 164.4
[M+K]+ 261.05236 152.7
[M+H-H2O]+ 205.08646 141.5
[M+HCOO]- 267.08740 166.7
[M+CH3COO]- 281.10305 187.4
[M+Na-2H]- 243.06387 150.8
[M]+ 222.08865 149.0
[M]- 222.08975 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