CID 171269

2-methyl-2-(2-methylphenoxy)propanoic acid

Structural Information

Molecular Formula
C11H14O3
SMILES
CC1=CC=CC=C1OC(C)(C)C(=O)O
InChI
InChI=1S/C11H14O3/c1-8-6-4-5-7-9(8)14-11(2,3)10(12)13/h4-7H,1-3H3,(H,12,13)
InChIKey
FTYMJPNQPCWPAL-UHFFFAOYSA-N
Compound name
2-methyl-2-(2-methylphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

194.0943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 141.9
[M+Na]+ 217.08352 153.3
[M+NH4]+ 212.12812 149.2
[M+K]+ 233.05746 148.9
[M-H]- 193.08702 142.2
[M+Na-2H]- 215.06897 147.5
[M]+ 194.09375 143.6
[M]- 194.09485 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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