CID 91222206

2901103-29-3

Structural Information

Molecular Formula

C₇H₆N₂O₄

SMILES

COC(=O)C1=NN=C(C=C1)C(=O)O

InChI

InChI=1S/C7H6N2O4/c1-13-7(12)5-3-2-4(6(10)11)8-9-5/h2-3H,1H3,(H,10,11)

InChIKey

UWMJHJCVUQBYRX-UHFFFAOYSA-N

Compound name

6-methoxycarbonylpyridazine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 182.03276 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]+	183.04004	133.7
[M+Na]+	205.02198	142.4
[M-H]-	181.02548	133.8
[M+NH4]+	200.06658	150.1
[M+K]+	220.99592	141.7
[M+H-H2O]+	165.03002	126.7
[M+HCOO]-	227.03096	154.1
[M+CH3COO]-	241.04661	176.8
[M+Na-2H]-	203.00743	139.5
[M]+	182.03221	135.4
[M]-	182.03331	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe