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: 17
Patents: 257.1052 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.112476	157.2
[M+Na]+	280.094418	163.6
[M-H]-	256.097924	162.7
[M+NH4]+	275.139023	172.8
[M+K]+	296.068358	160.3
[M+H-H2O]+	240.102460	149.5
[M+HCOO]-	302.103401	180.6
[M+CH3COO]-	316.119051	195.9
[M+Na-2H]-	278.079866	162.0
[M]+	257.10465142	157.7
[M]-	257.10574858	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe