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]+ 227.091396 145.7
[M+Na]+ 249.073338 154.3
[M-H]- 225.076844 148.7
[M+NH4]+ 244.117943 163.7
[M+K]+ 265.047278 153.8
[M+H-H2O]+ 209.081380 139.9
[M+HCOO]- 271.082321 168.4
[M+CH3COO]- 285.097971 188.6
[M+Na-2H]- 247.058786 149.3
[M]+ 226.08357142 151.6
[M]- 226.08466858 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.