CID 57346783

113036-94-5

Structural Information

Molecular Formula

C₁₄H₁₄N₂

SMILES

C1=CC=C(C=C1)CN=CC2=CC=C(C=C2)N

InChI

InChI=1S/C14H14N2/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,11H,10,15H2

InChIKey

WUYNTJROFFDFCR-UHFFFAOYSA-N

Compound name

4-(benzyliminomethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 210.11569 Da
Monoisotopic Mass: 2.5
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]+	211.122966	146.3
[M+Na]+	233.104908	153.1
[M-H]-	209.108414	153.8
[M+NH4]+	228.149513	164.8
[M+K]+	249.078848	148.9
[M+H-H2O]+	193.112950	138.4
[M+HCOO]-	255.113891	173.9
[M+CH3COO]-	269.129541	193.4
[M+Na-2H]-	231.090356	153.9
[M]+	210.11514142	144.5
[M]-	210.11623858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe