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

49
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 152.5
[M+Na]+ 265.08352 160.9
[M-H]- 241.08702 158.6
[M+NH4]+ 260.12812 169.5
[M+K]+ 281.05746 157.7
[M+H-H2O]+ 225.09156 145.6
[M+HCOO]- 287.09250 174.9
[M+CH3COO]- 301.10815 192.1
[M+Na-2H]- 263.06897 156.3
[M]+ 242.09375 154.3
[M]- 242.09485 154.3
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