CID 39878

51028-92-3

Structural Information

Molecular Formula
C16H16O3
SMILES
CC1=CC=C(C=C1)C2=CC(=CC(=C2)CC(=O)O)OC
InChI
InChI=1S/C16H16O3/c1-11-3-5-13(6-4-11)14-7-12(9-16(17)18)8-15(10-14)19-2/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKey
XFYRRXPNORLDHG-UHFFFAOYSA-N
Compound name
2-[3-methoxy-5-(4-methylphenyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

256.10995 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.117226 157.2
[M+Na]+ 279.099168 165.2
[M-H]- 255.102674 163.1
[M+NH4]+ 274.143773 173.6
[M+K]+ 295.073108 161.7
[M+H-H2O]+ 239.107210 150.1
[M+HCOO]- 301.108151 179.3
[M+CH3COO]- 315.123801 195.1
[M+Na-2H]- 277.084616 160.5
[M]+ 256.10940142 159.3
[M]- 256.11049858 159.3
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