CID 3855544

2-(2,3-dimethylphenoxy)propanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

194.0943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 140.7
[M+Na]+ 217.083518 148.4
[M-H]- 193.087024 143.5
[M+NH4]+ 212.128123 159.9
[M+K]+ 233.057458 147.2
[M+H-H2O]+ 177.091560 135.4
[M+HCOO]- 239.092501 162.1
[M+CH3COO]- 253.108151 184.0
[M+Na-2H]- 215.068966 143.6
[M]+ 194.09375142 142.7
[M]- 194.09484858 142.7
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