CID 24706404

1909327-23-6

Structural Information

Molecular Formula

C₈H₁₀N₄

SMILES

CNCC1=NN=C2N1C=CC=C2

InChI

InChI=1S/C8H10N4/c1-9-6-8-11-10-7-4-2-3-5-12(7)8/h2-5,9H,6H2,1H3

InChIKey

UQXCTICEXNDHAR-UHFFFAOYSA-N

Compound name

N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 162.09055 Da
Monoisotopic Mass: 0.6
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]+	163.09783	131.3
[M+Na]+	185.07977	144.8
[M+NH4]+	180.12437	139.7
[M+K]+	201.05371	139.9
[M-H]-	161.08327	132.8
[M+Na-2H]-	183.06522	139.0
[M]+	162.09000	133.5
[M]-	162.09110	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe