CID 558341

1,4,5,6-tetrahydropyridazine

Structural Information

Molecular Formula

C₄H₈N₂

SMILES

C1CC=NNC1

InChI

InChI=1S/C4H8N2/c1-2-4-6-5-3-1/h3,6H,1-2,4H2

InChIKey

BGMLUCPALPKNOV-UHFFFAOYSA-N

Compound name

1,4,5,6-tetrahydropyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2169
Patents: 84.06875 Da
Monoisotopic Mass: 0.2
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]+	85.076026	115.1
[M+Na]+	107.05797	121.1
[M-H]-	83.061474	113.8
[M+NH4]+	102.10257	135.0
[M+K]+	123.03191	120.0
[M+H-H2O]+	67.066010	108.5
[M+HCOO]-	129.06695	134.2
[M+CH3COO]-	143.08260	158.6
[M+Na-2H]-	105.04342	124.2
[M]+	84.068201	109.0
[M]-	84.069299	109.0

Literature stripe

literature stripe

Patent stripe

patents stripe