CID 136882

4-methylpyridazine

Structural Information

Molecular Formula

C₅H₆N₂

SMILES

CC1=CN=NC=C1

InChI

InChI=1S/C5H6N2/c1-5-2-3-6-7-4-5/h2-4H,1H3

InChIKey

AIKUBOPKWKZULG-UHFFFAOYSA-N

Compound name

4-methylpyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1828
Patents: 94.0531 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]+	95.060376	114.3
[M+Na]+	117.04232	123.5
[M-H]-	93.045824	115.4
[M+NH4]+	112.08692	135.2
[M+K]+	133.01626	122.5
[M+H-H2O]+	77.050360	107.7
[M+HCOO]-	139.05130	137.6
[M+CH3COO]-	153.06695	164.7
[M+Na-2H]-	115.02777	125.0
[M]+	94.052551	113.8
[M]-	94.053649	113.8

Literature stripe

literature stripe

Patent stripe

patents stripe