CID 361543

41890-13-5

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

C1CCN(CC1)C(=N)C2=CC=CC=C2

InChI

InChI=1S/C12H16N2/c13-12(11-7-3-1-4-8-11)14-9-5-2-6-10-14/h1,3-4,7-8,13H,2,5-6,9-10H2

InChIKey

SXLQOPCLRPCURO-UHFFFAOYSA-N

Compound name

phenyl(piperidin-1-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 188.13135 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]+	189.13863	142.8
[M+Na]+	211.12057	146.4
[M-H]-	187.12407	146.9
[M+NH4]+	206.16517	160.0
[M+K]+	227.09451	143.2
[M+H-H2O]+	171.12861	134.7
[M+HCOO]-	233.12955	162.4
[M+CH3COO]-	247.14520	183.8
[M+Na-2H]-	209.10602	148.2
[M]+	188.13080	135.2
[M]-	188.13190	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe