CID 2731039

4-(4-methoxybenzylamino)benzoic acid

Structural Information

Molecular Formula
C15H15NO3
SMILES
COC1=CC=C(C=C1)CNC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H15NO3/c1-19-14-8-2-11(3-9-14)10-16-13-6-4-12(5-7-13)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
InChIKey
ZTRSGBHHPFPTEC-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenyl)methylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

16
Patents

257.1052 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 158.6
[M+Na]+ 280.09442 171.6
[M+NH4]+ 275.13902 166.1
[M+K]+ 296.06836 164.9
[M-H]- 256.09792 162.6
[M+Na-2H]- 278.07987 166.9
[M]+ 257.10465 161.5
[M]- 257.10575 161.5
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