CID 75355624

793659-01-5

Structural Information

Molecular Formula

C₆H₇N₅

SMILES

C1=CC2=NN=C(N2N=C1)CN

InChI

InChI=1S/C6H7N5/c7-4-6-10-9-5-2-1-3-8-11(5)6/h1-3H,4,7H2

InChIKey

FJAANHMNFVSWQD-UHFFFAOYSA-N

Compound name

[1,2,4]triazolo[4,3-b]pyridazin-3-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 149.07014 Da
Monoisotopic Mass: -1.4
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]+	150.07742	126.5
[M+Na]+	172.05936	139.8
[M+NH4]+	167.10396	134.2
[M+K]+	188.03330	136.0
[M-H]-	148.06286	127.1
[M+Na-2H]-	170.04481	133.8
[M]+	149.06959	128.4
[M]-	149.07069	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe