CID 73759

1539-42-0

Structural Information

Molecular Formula

C₁₂H₁₃N₃

SMILES

C1=CC=NC(=C1)CNCC2=CC=CC=N2

InChI

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

InChIKey

KXZQYLBVMZGIKC-UHFFFAOYSA-N

Compound name

1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 190
References: 4702
Patents: 199.11095 Da
Monoisotopic Mass: 0.7
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	142.9
[M+Na]+	222.10017	149.6
[M-H]-	198.10367	146.4
[M+NH4]+	217.14477	158.6
[M+K]+	238.07411	145.5
[M+H-H2O]+	182.10821	133.7
[M+HCOO]-	244.10915	166.4
[M+CH3COO]-	258.12480	155.0
[M+Na-2H]-	220.08562	152.9
[M]+	199.11040	141.6
[M]-	199.11150	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe