CID 165668752

29171-46-8

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 142.7
[M+Na]+ 229.04712 153.1
[M-H]- 205.05062 144.0
[M+NH4]+ 224.09172 159.1
[M+K]+ 245.02106 150.0
[M+H-H2O]+ 189.05516 131.1
[M+HCOO]- 251.05610 159.6
[M+CH3COO]- 265.07175 191.4
[M+Na-2H]- 227.03257 146.0
[M]+ 206.05735 140.3
[M]- 206.05845 140.3
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.