CID 16771271

2-(2,6-dimethoxy-4-methylphenoxy)acetic acid

Structural Information

Molecular Formula
C11H14O5
SMILES
CC1=CC(=C(C(=C1)OC)OCC(=O)O)OC
InChI
InChI=1S/C11H14O5/c1-7-4-8(14-2)11(9(5-7)15-3)16-6-10(12)13/h4-5H,6H2,1-3H3,(H,12,13)
InChIKey
TUSCUANOBOEMDP-UHFFFAOYSA-N
Compound name
2-(2,6-dimethoxy-4-methylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.08412 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09140 145.7
[M+Na]+ 249.07334 154.3
[M-H]- 225.07684 148.7
[M+NH4]+ 244.11794 163.7
[M+K]+ 265.04728 153.8
[M+H-H2O]+ 209.08138 139.9
[M+HCOO]- 271.08232 168.4
[M+CH3COO]- 285.09797 188.6
[M+Na-2H]- 247.05879 149.3
[M]+ 226.08357 151.6
[M]- 226.08467 151.6
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

No patent data available for this compound.