CID 69092733

2416237-42-6

Structural Information

Molecular Formula

C₇H₈N₄

SMILES

C1=CN2C=NN=C2C=C1CN

InChI

InChI=1S/C7H8N4/c8-4-6-1-2-11-5-9-10-7(11)3-6/h1-3,5H,4,8H2

InChIKey

RJOLOOGTOLNILX-UHFFFAOYSA-N

Compound name

[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 148.07489 Da
Monoisotopic Mass: 0.0
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]+	149.08217	126.8
[M+Na]+	171.06411	140.1
[M+NH4]+	166.10871	135.2
[M+K]+	187.03805	135.7
[M-H]-	147.06761	128.1
[M+Na-2H]-	169.04956	134.2
[M]+	148.07434	128.9
[M]-	148.07544	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe