CID 3152800

1185300-66-6

Structural Information

Molecular Formula

C₁₃H₁₄N₂

SMILES

CC1=CC=CC=C1C(C2=CC=NC=C2)N

InChI

InChI=1S/C13H14N2/c1-10-4-2-3-5-12(10)13(14)11-6-8-15-9-7-11/h2-9,13H,14H2,1H3

InChIKey

ODUGKKIZGXGYDM-UHFFFAOYSA-N

Compound name

(2-methylphenyl)-pyridin-4-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 198.11569 Da
Monoisotopic Mass: 1.8
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]+	199.12297	144.2
[M+Na]+	221.10491	151.2
[M-H]-	197.10841	149.2
[M+NH4]+	216.14951	161.4
[M+K]+	237.07885	147.3
[M+H-H2O]+	181.11295	136.3
[M+HCOO]-	243.11389	167.1
[M+CH3COO]-	257.12954	187.8
[M+Na-2H]-	219.09036	150.5
[M]+	198.11514	141.6
[M]-	198.11624	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe