CID 74257

1656-94-6

Structural Information

Molecular Formula

C₁₂H₁₃N₃

SMILES

C1=CC(=CN=C1)CNCC2=CN=CC=C2

InChI

InChI=1S/C12H13N3/c1-3-11(7-13-5-1)9-15-10-12-4-2-6-14-8-12/h1-8,15H,9-10H2

InChIKey

FEBQXMFOLRVSGC-UHFFFAOYSA-N

Compound name

1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 590
Patents: 199.11095 Da
Monoisotopic Mass: 0.8
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]+	200.11823	144.4
[M+Na]+	222.10017	159.0
[M+NH4]+	217.14477	153.2
[M+K]+	238.07411	150.6
[M-H]-	198.10367	149.0
[M+Na-2H]-	220.08562	155.5
[M]+	199.11040	147.8
[M]-	199.11150	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe