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

62
References

1960
Patents

196.07356 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 140.0
[M+Na]+ 219.062778 147.1
[M-H]- 195.066284 142.5
[M+NH4]+ 214.107383 158.6
[M+K]+ 235.036718 146.6
[M+H-H2O]+ 179.070820 134.2
[M+HCOO]- 241.071761 161.9
[M+CH3COO]- 255.087411 181.9
[M+Na-2H]- 217.048226 144.1
[M]+ 196.07301142 142.6
[M]- 196.07410858 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