CID 165668752

2-(4-ethynyl-2-methoxyphenoxy)aceticacid

Structural Information

Molecular Formula
C11H10O4
SMILES
COC1=C(C=CC(=C1)C#C)OCC(=O)O
InChI
InChI=1S/C11H10O4/c1-3-8-4-5-9(10(6-8)14-2)15-7-11(12)13/h1,4-6H,7H2,2H3,(H,12,13)
InChIKey
MNPJRTBMWVUADN-UHFFFAOYSA-N
Compound name
2-(4-ethynyl-2-methoxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0579 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 141.3
[M+Na]+ 229.04712 152.8
[M+NH4]+ 224.09172 144.6
[M+K]+ 245.02106 145.0
[M-H]- 205.05062 133.7
[M+Na-2H]- 227.03257 143.5
[M]+ 206.05735 139.8
[M]- 206.05845 139.8
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.