CID 4961624

58171-11-2

Structural Information

Molecular Formula

C₁₂H₁₂N₂

SMILES

C1=CC=C(C=C1)CN2C=CC=CC2=N

InChI

InChI=1S/C12H12N2/c13-12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-9,13H,10H2

InChIKey

DBQGYLFXAFJYBW-UHFFFAOYSA-N

Compound name

1-benzylpyridin-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 3
Patents: 184.10005 Da
Monoisotopic Mass: 2.0
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]+	185.107326	138.0
[M+Na]+	207.089268	145.9
[M-H]-	183.092774	143.5
[M+NH4]+	202.133873	156.0
[M+K]+	223.063208	141.6
[M+H-H2O]+	167.097310	130.1
[M+HCOO]-	229.098251	163.0
[M+CH3COO]-	243.113901	151.3
[M+Na-2H]-	205.074716	147.0
[M]+	184.09950142	135.9
[M]-	184.10059858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe