CID 54592580

2060024-38-4

Structural Information

Molecular Formula

C₉H₁₄N₄

SMILES

CN(C)C1=NN=C2CCNCC2=C1

InChI

InChI=1S/C9H14N4/c1-13(2)9-5-7-6-10-4-3-8(7)11-12-9/h5,10H,3-4,6H2,1-2H3

InChIKey

FUKIEUOIMIWRNK-UHFFFAOYSA-N

Compound name

N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 178.12184 Da
Monoisotopic Mass: -0.3
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]+	179.129116	139.5
[M+Na]+	201.111058	146.3
[M-H]-	177.114564	139.4
[M+NH4]+	196.155663	156.2
[M+K]+	217.084998	143.8
[M+H-H2O]+	161.119100	131.0
[M+HCOO]-	223.120041	157.2
[M+CH3COO]-	237.135691	150.9
[M+Na-2H]-	199.096506	147.6
[M]+	178.12129142	136.0
[M]-	178.12238858	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe