CID 164872

1703-10-2

Structural Information

Molecular Formula

C₅H₆N₂O₂

SMILES

COC1=NNC(=O)C=C1

InChI

InChI=1S/C5H6N2O2/c1-9-5-3-2-4(8)6-7-5/h2-3H,1H3,(H,6,8)

InChIKey

CUJCDCSWBJDFNI-UHFFFAOYSA-N

Compound name

3-methoxy-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 126.04293 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]+	127.05021	120.5
[M+Na]+	149.03215	130.4
[M-H]-	125.03565	120.7
[M+NH4]+	144.07675	139.5
[M+K]+	165.00609	128.7
[M+H-H2O]+	109.04019	114.0
[M+HCOO]-	171.04113	142.9
[M+CH3COO]-	185.05678	166.3
[M+Na-2H]-	147.01760	129.7
[M]+	126.04238	120.6
[M]-	126.04348	120.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe