CID 39232073

4'-methoxy-6-methyl-[1,1'-biphenyl]-3-carboxylic acid

Structural Information

Molecular Formula
C15H14O3
SMILES
CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H14O3/c1-10-3-4-12(15(16)17)9-14(10)11-5-7-13(18-2)8-6-11/h3-9H,1-2H3,(H,16,17)
InChIKey
QYRSNZGYFGYTOP-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-4-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

242.0943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 153.7
[M+Na]+ 265.08352 168.4
[M+NH4]+ 260.12812 161.9
[M+K]+ 281.05746 161.6
[M-H]- 241.08702 157.6
[M+Na-2H]- 263.06897 162.2
[M]+ 242.09375 157.0
[M]- 242.09485 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe