CID 51982

(4-(cyano(p-tolyl)methyl)phenyl)ammonium chloride

Structural Information

Molecular Formula

C₁₅H₁₄N₂

SMILES

CC1=CC=C(C=C1)C(C#N)C2=CC=C(C=C2)N

InChI

InChI=1S/C15H14N2/c1-11-2-4-12(5-3-11)15(10-16)13-6-8-14(17)9-7-13/h2-9,15H,17H2,1H3

InChIKey

RTNMSYZNUZAKIK-UHFFFAOYSA-N

Compound name

2-(4-aminophenyl)-2-(4-methylphenyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2
Patents: 222.11569 Da
Monoisotopic Mass: 3.0
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]+	223.122966	157.3
[M+Na]+	245.104908	166.7
[M-H]-	221.108414	162.3
[M+NH4]+	240.149513	173.1
[M+K]+	261.078848	160.8
[M+H-H2O]+	205.112950	143.7
[M+HCOO]-	267.113891	176.9
[M+CH3COO]-	281.129541	204.5
[M+Na-2H]-	243.090356	160.5
[M]+	222.11514142	150.0
[M]-	222.11623858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe