CID 22498636

397309-47-6

Structural Information

Molecular Formula

C₆H₆N₂O₃

SMILES

CN1C(=O)C(=CC=N1)C(=O)O

InChI

InChI=1S/C6H6N2O3/c1-8-5(9)4(6(10)11)2-3-7-8/h2-3H,1H3,(H,10,11)

InChIKey

RZXOWMGNNLWTAE-UHFFFAOYSA-N

Compound name

2-methyl-3-oxopyridazine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 154.03784 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]+	155.045116	126.3
[M+Na]+	177.027058	136.7
[M-H]-	153.030564	126.9
[M+NH4]+	172.071663	144.3
[M+K]+	193.000998	135.1
[M+H-H2O]+	137.035100	119.9
[M+HCOO]-	199.036041	147.8
[M+CH3COO]-	213.051691	172.6
[M+Na-2H]-	175.012506	133.1
[M]+	154.03729142	127.3
[M]-	154.03838858	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe