CID 687887

4-(benzylideneamino)benzoic acid

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H11NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H,(H,16,17)

InChIKey

MREPJQZHXSDMKL-UHFFFAOYSA-N

Compound name

4-(benzylideneamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 52
Patents: 225.07898 Da
Monoisotopic Mass: 2.3
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]+	226.08626	148.4
[M+Na]+	248.06820	155.4
[M-H]-	224.07170	155.3
[M+NH4]+	243.11280	165.9
[M+K]+	264.04214	151.8
[M+H-H2O]+	208.07624	140.9
[M+HCOO]-	270.07718	173.7
[M+CH3COO]-	284.09283	190.6
[M+Na-2H]-	246.05365	155.0
[M]+	225.07843	147.9
[M]-	225.07953	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe