CID 297964

4-benzyloxy-3-methoxyphenylacetic acid

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=C(C=CC(=C1)CC(=O)O)OCC2=CC=CC=C2
InChI
InChI=1S/C16H16O4/c1-19-15-9-13(10-16(17)18)7-8-14(15)20-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,17,18)
InChIKey
AYCIHUSEBJLTBF-UHFFFAOYSA-N
Compound name
2-(3-methoxy-4-phenylmethoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

216
Patents

272.10486 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 160.9
[M+Na]+ 295.09408 167.7
[M-H]- 271.09758 166.3
[M+NH4]+ 290.13868 176.2
[M+K]+ 311.06802 164.8
[M+H-H2O]+ 255.10212 153.2
[M+HCOO]- 317.10306 183.1
[M+CH3COO]- 331.11871 196.0
[M+Na-2H]- 293.07953 164.8
[M]+ 272.10431 164.0
[M]- 272.10541 164.0
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