CID 154577015

6-acetylpyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C7H6N2O3
SMILES
CC(=O)C1=NN=C(C=C1)C(=O)O
InChI
InChI=1S/C7H6N2O3/c1-4(10)5-2-3-6(7(11)12)9-8-5/h2-3H,1H3,(H,11,12)
InChIKey
FDUWGTYZDYGJIA-UHFFFAOYSA-N
Compound name
6-acetylpyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.03784 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04512 130.8
[M+Na]+ 189.02706 139.5
[M-H]- 165.03056 130.9
[M+NH4]+ 184.07166 147.8
[M+K]+ 205.00100 138.2
[M+H-H2O]+ 149.03510 124.0
[M+HCOO]- 211.03604 151.0
[M+CH3COO]- 225.05169 175.3
[M+Na-2H]- 187.01251 136.6
[M]+ 166.03729 131.2
[M]- 166.03839 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.