CID 53225433

2-(4-methoxyphenyl)-6-methylbenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.101576 152.5
[M+Na]+ 265.083518 160.9
[M-H]- 241.087024 158.6
[M+NH4]+ 260.128123 169.5
[M+K]+ 281.057458 157.7
[M+H-H2O]+ 225.091560 145.6
[M+HCOO]- 287.092501 174.9
[M+CH3COO]- 301.108151 192.1
[M+Na-2H]- 263.068966 156.3
[M]+ 242.09375142 154.3
[M]- 242.09484858 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

literature stripe

Patent stripe

No patent data available for this compound.