CID 254101

3,5-dimethoxypyridazine

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

COC1=CC(=NN=C1)OC

InChI

InChI=1S/C6H8N2O2/c1-9-5-3-6(10-2)8-7-4-5/h3-4H,1-2H3

InChIKey

JTMOTKXYVAQITD-UHFFFAOYSA-N

Compound name

3,5-dimethoxypyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 140.05858 Da
Monoisotopic Mass: 0.1
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]+	141.065856	125.0
[M+Na]+	163.047798	134.7
[M-H]-	139.051304	126.4
[M+NH4]+	158.092403	144.2
[M+K]+	179.021738	134.3
[M+H-H2O]+	123.055840	118.0
[M+HCOO]-	185.056781	148.4
[M+CH3COO]-	199.072431	172.8
[M+Na-2H]-	161.033246	134.3
[M]+	140.05803142	128.1
[M]-	140.05912858	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe