CID 151199

2-(4-methoxyphenoxy)propanoic acid

Structural Information

Molecular Formula
C10H12O4
SMILES
CC(C(=O)O)OC1=CC=C(C=C1)OC
InChI
InChI=1S/C10H12O4/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9/h3-7H,1-2H3,(H,11,12)
InChIKey
MIEKOFWWHVOKQX-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

60
References

2046
Patents

196.07356 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 140.0
[M+Na]+ 219.06278 147.1
[M-H]- 195.06628 142.5
[M+NH4]+ 214.10738 158.6
[M+K]+ 235.03672 146.6
[M+H-H2O]+ 179.07082 134.2
[M+HCOO]- 241.07176 161.9
[M+CH3COO]- 255.08741 181.9
[M+Na-2H]- 217.04823 144.1
[M]+ 196.07301 142.6
[M]- 196.07411 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe