CID 290478

3-(4-methoxyphenoxy)propionic acid

Structural Information

Molecular Formula
C10H12O4
SMILES
COC1=CC=C(C=C1)OCCC(=O)O
InChI
InChI=1S/C10H12O4/c1-13-8-2-4-9(5-3-8)14-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKey
SGTCAUQLJIKBMM-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

140
Patents

196.07356 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 139.9
[M+Na]+ 219.06278 147.2
[M-H]- 195.06628 142.3
[M+NH4]+ 214.10738 158.6
[M+K]+ 235.03672 146.2
[M+H-H2O]+ 179.07082 134.0
[M+HCOO]- 241.07176 162.8
[M+CH3COO]- 255.08741 180.9
[M+Na-2H]- 217.04823 145.2
[M]+ 196.07301 143.2
[M]- 196.07411 143.2
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