CID 302828

2-(2,4-dimethylphenoxy)propanoic acid

Structural Information

Molecular Formula
C11H14O3
SMILES
CC1=CC(=C(C=C1)OC(C)C(=O)O)C
InChI
InChI=1S/C11H14O3/c1-7-4-5-10(8(2)6-7)14-9(3)11(12)13/h4-6,9H,1-3H3,(H,12,13)
InChIKey
IFJVJZSRAQXZEY-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

194.0943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 141.8
[M+Na]+ 217.08352 153.5
[M+NH4]+ 212.12812 149.1
[M+K]+ 233.05746 148.8
[M-H]- 193.08702 142.5
[M+Na-2H]- 215.06897 146.8
[M]+ 194.09375 143.5
[M]- 194.09485 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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