CID 649175

4-[(4-methoxyphenoxy)methyl]benzoic acid

Structural Information

Molecular Formula
C15H14O4
SMILES
COC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H14O4/c1-18-13-6-8-14(9-7-13)19-10-11-2-4-12(5-3-11)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKey
MTYNMUPSWAZQDC-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenoxy)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

258.0892 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 157.2
[M+Na]+ 281.07842 171.0
[M+NH4]+ 276.12302 164.7
[M+K]+ 297.05236 164.6
[M-H]- 257.08192 160.5
[M+Na-2H]- 279.06387 165.4
[M]+ 258.08865 160.1
[M]- 258.08975 160.1
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